data_2diy_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 2diy _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 ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.81 147.16 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -105.53 110.64 23.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.5 t -95.79 118.39 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.34 23.3 7.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.7 p -165.99 148.64 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.69 71.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.11 -51.83 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.495 ' CE1' HG22 ' A' ' 43' ' ' VAL . 21.0 t80 -63.14 -61.35 2.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -50.25 -31.7 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.88 -53.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 33' ' ' LEU . 7.6 tp -52.9 -42.57 65.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt -35.47 -50.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -66.86 -56.55 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.21 -61.8 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -84.33 40.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.75 -49.67 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.92 -47.28 85.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.2 p -74.04 -178.47 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD21 ' N ' ' A' ' 123' ' ' ALA . 40.3 tp -99.77 114.96 28.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -94.74 134.55 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -122.95 107.46 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.495 HG22 ' CE1' ' A' ' 29' ' ' PHE . 99.0 t -96.67 106.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -101.52 137.18 40.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 47.0 m-85 -95.81 107.34 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 76' ' ' GLU . 34.9 p-90 -106.75 146.81 30.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . . . -130.56 138.62 33.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.31 4.51 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.491 ' CD1' ' HB3' ' A' ' 47' ' ' ALA . 60.1 p-90 -116.15 -50.97 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 121.91 53.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.88 15.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -53.89 -46.76 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -54.62 -19.23 5.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -67.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.47 -40.63 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.3 mmt -53.75 -31.78 49.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -74.32 -44.91 50.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.16 -43.6 95.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.3 -45.56 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' ALA . 50.4 mtp -52.31 -55.35 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.39 -56.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -55.63 -61.34 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.33 -58.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.26 -37.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -71.74 -47.54 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -60.66 -42.42 96.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 119' ' ' VAL . 42.1 mt -109.67 89.64 7.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.6 37.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 123' ' ' ALA . 4.9 pp0? -96.59 18.48 14.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 71' ' ' SER . 91.2 t -118.51 154.55 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.421 ' N ' HG12 ' A' ' 70' ' ' VAL . 44.9 m -119.78 115.28 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.52 110.71 22.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.3 m -122.36 127.96 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -106.37 131.14 53.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.55 146.73 44.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 12.9 mt-10 -85.87 112.92 21.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.88 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -79.72 -25.57 41.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.35 -39.78 87.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -125.43 81.15 64.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -5.74 16.92 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.33 -47.57 55.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.79 -45.35 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.2 m -52.32 -36.67 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.9 -56.17 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -46.54 -59.45 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -79.19 -10.42 59.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 84' ' ' SER . 36.8 mt-10 59.65 42.95 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 10.1 mm -81.45 93.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -115.57 41.32 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -159.63 142.1 13.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.525 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.5 m -143.55 154.1 59.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 111.086 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.78 164.61 78.84 Favored 'Cis proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.362 -0.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.6 m -157.91 123.87 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CD2' HD12 ' A' ' 115' ' ' LEU . 45.3 m-85 -110.98 139.11 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 28.7 mt -127.47 113.79 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -85.5 110.71 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 94.2 m-85 -109.12 116.47 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -119.84 119.96 35.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 63.3 37.3 11.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 p 61.78 36.3 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -152.94 110.62 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -51.6 126.81 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.0 pt -120.45 -21.37 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -150.44 164.83 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -162.42 134.21 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.3 tt -115.14 122.24 45.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -106.27 134.56 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.62 154.95 30.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . . . -77.76 98.86 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.4 m-70 -126.85 114.62 18.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.0 -59.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.0 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.46 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 1.6 tp10 -47.24 -36.78 9.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 18.8 tp -65.99 -61.15 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 m -44.44 -49.66 9.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -47.47 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 29.6 mttp -56.27 -48.09 77.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 67' ' ' LEU . 92.9 t -50.92 -57.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -59.24 -51.65 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -41.53 -62.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' ALA . 66.5 m-70 -68.24 -53.77 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.466 ' N ' HD21 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.817 0.341 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.5 141.1 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -95.81 109.71 21.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.6 t -89.95 122.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.57 29.01 3.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 p -163.82 132.35 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' HG11 ' A' ' 80' ' ' VAL . . . -48.82 -53.55 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.38 -45.2 45.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -53.49 -48.91 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -65.97 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -50.32 -34.79 24.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.8 -45.23 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' LEU . 2.3 tp -60.08 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' LEU . 11.5 mt -35.43 -41.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -74.17 -56.04 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.48 -56.19 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -87.83 38.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -44.88 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -63.26 -43.99 96.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -85.59 152.85 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.36 122.35 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 tp -97.33 130.14 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -118.98 103.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 44' ' ' HIS . 70.0 t -81.35 152.84 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.406 ' N ' HG13 ' A' ' 43' ' ' VAL . 4.5 t-160 -142.83 121.43 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 23.8 m-85 -91.77 124.48 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -123.85 136.57 54.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . . . -114.08 141.43 26.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.06 6.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.478 ' CZ3' ' HB3' ' A' ' 50' ' ' ALA . 15.0 p-90 -117.31 -40.78 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . . . -73.66 123.76 89.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -41.4 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' CYS . 55.2 mt-30 -37.09 -41.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 54' ' ' ALA . 12.2 p -36.09 -46.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' N ' ' SG ' ' A' ' 53' ' ' CYS . . . -62.98 -64.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.697 ' H ' ' NE2' ' A' ' 55' ' ' GLN . 2.3 mp0 -35.43 -38.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.2 -46.19 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ALA . 10.6 t30 -45.15 -52.02 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.71 -60.03 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -48.62 -40.04 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.2 mtp -56.44 -63.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.96 -54.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -51.58 -43.96 62.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 33.7 mt -67.59 -52.66 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.7 -61.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -64.74 -41.32 96.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.86 -32.74 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -134.71 92.68 19.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.74 34.71 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -74.35 -9.76 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.38 141.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -109.24 113.78 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 61.2 m-85 -95.2 119.11 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.51 131.15 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 tt -128.35 138.16 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -87.99 115.54 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.24 -54.45 21.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -66.01 -19.79 65.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.45 -55.24 4.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 26' ' ' ALA . 14.5 t -112.87 78.6 2.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -5.53 16.41 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.0 t -93.52 -30.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' GLU . 19.5 m -60.88 -31.97 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 86' ' ' LYS . 11.4 pt-20 -70.27 -51.07 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 1.1 tmtp? -45.98 -52.05 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -90.49 -13.56 34.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 84' ' ' SER . 54.0 mt-10 66.79 40.7 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.539 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 13.6 mm -74.45 92.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -113.95 42.56 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 p -164.94 140.84 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.535 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 33.6 m -144.02 150.62 49.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.74 164.86 78.09 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.38 -0.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.7 m -154.18 132.5 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CE2' HD23 ' A' ' 115' ' ' LEU . 47.3 m-85 -113.72 135.35 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.517 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 26.2 mt -127.46 105.7 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 78.9 m-85 -79.33 125.05 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 80.6 m-85 -126.72 112.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -111.04 106.11 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.04 41.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m 61.72 43.9 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -156.15 119.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -64.03 129.95 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 105' ' ' ASP . 15.5 pt -126.36 -31.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.533 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 16.3 t70 -139.09 167.52 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -163.01 138.77 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -125.13 111.57 15.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -99.13 140.6 33.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.64 167.93 38.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.32 103.43 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 111.081 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 93.2 m-70 -131.86 117.05 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.484 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -67.58 -60.01 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.72 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 28.0 tt0 -45.29 -36.66 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.566 HD23 ' CE2' ' A' ' 95' ' ' PHE . 26.3 tp -67.69 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.9 m -43.23 -45.19 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -49.94 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -53.59 -51.97 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.9 t -47.5 -55.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -54.75 -56.25 21.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.61 -62.84 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -55.6 -37.43 68.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.45 144.59 48.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -98.91 111.81 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -98.94 118.05 44.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.48 34.99 3.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 p -168.69 135.63 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -48.5 73.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.51 -41.02 63.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.82 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.29 -57.47 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.68 -37.17 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.36 -51.9 46.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.7 tp -52.56 -47.19 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.6 mt -34.34 -44.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.89 -43.55 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.2 mp -60.58 -61.76 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -87.79 38.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.45 -52.04 13.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -48.71 -43.4 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -88.27 171.53 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 123' ' ' ALA . 21.6 tp -84.48 123.44 30.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 tp -100.1 141.27 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.79 102.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -83.68 118.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -108.27 117.31 33.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.575 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 10.9 m-85 -76.88 120.55 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.453 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 25.2 p-90 -124.3 129.92 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -121.18 139.45 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.528 0.68 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.09 6.39 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.8 p-90 -117.5 5.78 12.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.56 113.63 38.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.2 18.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' ALA . 5.1 mp0 -72.84 -44.61 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -38.45 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -64.03 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -46.45 -52.67 12.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 11.2 mmt -63.69 -46.32 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -43.71 -60.48 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.1 -52.49 63.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.0 t -49.72 -44.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.5 mtp -59.0 -60.81 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.96 -54.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.68 -34.39 62.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' MET . 84.5 mt -74.69 -49.03 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -38.99 -54.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -53.8 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -43.36 -49.06 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.9 mt -110.98 92.74 15.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -15.49 37.0 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -93.37 18.39 9.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -125.2 155.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -122.95 117.98 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.5 m-85 -106.32 114.03 27.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.1 m -123.07 130.74 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HE3' ' CD1' ' A' ' 46' ' ' TRP . 7.6 ptmt -109.32 133.93 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 75' ' ' LEU . 4.5 tt -122.93 145.36 48.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.78 108.59 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.69 -55.84 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.64 -27.32 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.23 61.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -130.54 83.02 63.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.78 37.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.15 -50.82 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.4 -45.46 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 14.3 m -55.84 -41.02 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.5 -59.3 5.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -44.18 -59.01 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.63 -14.57 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 84' ' ' SER . 45.0 mt-10 64.7 37.04 7.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.575 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 5.3 mm -69.84 94.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -114.29 43.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 p -166.56 124.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.531 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.7 m -127.0 154.15 76.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.717 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.72 165.05 77.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.36 -0.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.532 ' HB ' ' CD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -131.88 156.09 46.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 115' ' ' LEU . 84.2 m-85 -141.04 110.19 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 84.5 mt -114.72 104.5 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -82.22 112.16 18.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -108.66 123.24 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -109.57 94.31 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.21 40.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t 72.05 28.34 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -142.36 111.16 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -59.3 127.77 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 105' ' ' ASP . 47.3 pt -119.45 -37.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.492 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 14.6 t0 -137.21 170.27 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -162.16 145.03 11.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.465 ' CD1' ' HD2' ' A' ' 118' ' ' LYS . 2.2 tt -126.64 113.7 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 22.7 t0 -98.42 124.56 43.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.74 154.71 13.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.12 82.44 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 91.2 m-70 -108.35 118.02 35.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.505 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -67.58 -58.49 8.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.554 0.692 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.71 -49.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.1 tt0 -50.61 -42.26 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 95' ' ' PHE . 52.2 tp -55.87 -61.29 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 77.5 m -48.42 -47.37 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -49.29 -53.46 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.465 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 49.2 mttm -65.28 -45.55 84.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.0 t -53.17 -59.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -57.99 -51.93 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -44.03 -59.11 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.492 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 57.8 m-70 -64.9 -53.21 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.792 0.329 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -74.4 150.65 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 105.31 15.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -91.81 118.67 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.7 27.56 5.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 80' ' ' VAL . 83.4 p -165.58 147.68 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -30.27 71.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.23 -34.56 75.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -69.62 -38.43 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -77.48 -52.63 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -52.3 -39.86 61.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 10.1 pt-20 -73.84 -43.74 57.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 4.0 tp -63.25 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 10.5 mt -63.75 -27.97 69.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -81.08 -46.91 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -67.92 -53.64 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -85.93 35.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.98 -48.93 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 39' ' ' SER . 20.5 pttt -58.83 -32.36 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 50.2 m -92.37 165.36 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.41 107.07 10.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 tp -94.13 130.32 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.93 102.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -83.45 105.42 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CG ' ' SD ' ' A' ' 60' ' ' MET . 12.9 t-80 -97.8 129.86 44.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 14.1 m-85 -87.35 128.1 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.484 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 17.8 p-90 -126.55 137.02 53.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HB2' ' NE1' ' A' ' 49' ' ' TRP . . . -129.93 147.91 67.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.69 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.27 29.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.42 ' CH2' ' CG2' ' A' ' 92' ' ' VAL . 14.4 p-90 -88.28 -53.24 4.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . . . -58.15 112.63 5.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -45.55 -51.73 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.9 m -43.99 -30.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.94 -51.12 62.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -65.08 -57.63 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 56' ' ' MET . 16.1 mmt -39.89 -35.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -56.94 -65.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.56 -37.25 57.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.06 -35.93 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.501 ' SD ' ' CG ' ' A' ' 44' ' ' HIS . 83.8 mtp -72.27 -50.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.82 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -52.16 -32.78 37.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.6 mt -75.49 -36.97 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.474 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -49.71 -57.92 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.4 -42.25 31.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.63 90.13 25.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -16.62 37.85 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.683 2.255 . . . . 0.0 112.315 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -93.23 19.03 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.416 HG12 ' CE2' ' A' ' 72' ' ' PHE . 96.0 t -130.49 138.81 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.9 m -104.46 115.67 30.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -103.22 112.96 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.451 HG12 ' CD2' ' A' ' 32' ' ' LEU . 23.1 m -123.6 131.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.484 ' HE3' ' CD1' ' A' ' 46' ' ' TRP . 10.5 ptmt -114.17 137.75 51.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.419 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.1 tt -125.16 146.75 49.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 79' ' ' GLY . 37.9 tt0 -88.25 104.13 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.87 -37.89 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -82.01 -23.94 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -78.93 -41.56 14.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.45 HG22 ' N ' ' A' ' 25' ' ' SER . 44.6 t -121.09 82.11 36.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -22.33 32.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.76 -54.79 43.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.96 -46.94 90.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . 37.7 m -52.62 -40.3 62.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.38 -59.34 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -43.31 -60.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -76.03 -13.17 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 39.9 mt-10 63.31 37.3 11.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.57 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.2 mm -70.5 98.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 t -120.55 39.51 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -162.66 129.09 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.518 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 2.7 m -129.58 154.56 80.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.77 165.06 77.65 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.732 -1.779 . . . . 0.0 112.328 0.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.451 ' HB ' ' CD1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -133.41 153.78 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 115' ' ' LEU . 80.3 m-85 -140.96 110.05 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -113.4 104.95 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.07 103.16 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -97.07 119.51 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -120.08 98.59 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 72.18 47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 m 60.12 32.9 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.25 125.43 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -69.46 121.84 17.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 28.7 pt -116.82 -28.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.598 ' CG ' ' CE1' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -142.42 160.75 39.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -161.59 133.2 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.6 tt -117.77 110.49 17.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -95.62 125.59 40.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.46 150.08 12.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.09 87.3 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 96.7 m-70 -115.21 111.24 20.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.491 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -65.16 -59.5 9.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.78 -49.76 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.342 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 4.4 tp10 -50.29 -35.0 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 95' ' ' PHE . 51.3 tp -64.77 -61.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.1 m -45.16 -54.49 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -41.99 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -55.6 -55.42 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.3 t -45.8 -60.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -53.14 -56.45 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -42.78 -63.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.598 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 45.5 m-70 -57.28 -54.43 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -79.16 149.04 32.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.42 129.13 43.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -104.66 103.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.01 36.72 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.407 ' N ' HG21 ' A' ' 80' ' ' VAL . 59.4 p -174.3 139.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' HG12 ' A' ' 80' ' ' VAL . . . -59.38 -42.69 92.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.84 74.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.78 -51.66 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.26 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -44.2 -36.44 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -75.27 -55.28 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' A' ' 73' ' ' VAL . 2.4 tp -52.04 -26.69 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.01 -43.33 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 10.8 ptt180 -79.8 -43.68 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.5 mt -56.15 -56.94 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -92.92 40.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -42.66 59.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.92 -47.77 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -83.29 169.31 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 123' ' ' ALA . 57.8 tp -81.79 124.88 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 tp -99.28 141.15 32.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -131.26 103.17 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -93.31 107.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 9.9 t-80 -100.28 125.21 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.525 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 14.1 m-85 -82.93 111.79 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -115.98 147.09 41.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB2' ' NE1' ' A' ' 49' ' ' TRP . . . -128.92 142.02 43.68 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.447 ' NE1' ' HB2' ' A' ' 47' ' ' ALA . 17.9 p-90 -119.1 -47.29 2.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 119.17 29.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.78 -30.42 22.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' NE2' ' HD2' ' A' ' 93' ' ' PRO . 23.4 mt-30 -46.12 -55.18 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -40.46 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -48.5 -69.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -61.94 -51.87 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' ASN . 18.1 mmt -44.78 -63.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' MET . 27.1 t30 -34.36 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.41 -55.77 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -46.11 -45.74 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.59 -63.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.97 -43.8 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.12 -40.32 97.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.3 mt -70.66 -42.94 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 72' ' ' PHE . . . -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -45.69 -40.58 9.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.62 94.62 42.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.25 37.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.12 16.14 11.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.98 137.51 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.0 t -101.08 116.15 32.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 90.2 m-85 -104.58 117.83 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.45 HG12 ' CD2' ' A' ' 32' ' ' LEU . 34.6 m -127.08 139.45 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.8 113.77 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tt -106.65 140.03 40.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.16 -45.81 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.65 -26.32 50.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.19 -40.42 55.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 26' ' ' ALA . 83.0 t -128.57 82.14 69.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.35 37.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -57.34 -52.11 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.07 -45.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.8 m -49.11 -37.6 22.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.71 -58.71 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -41.17 -61.87 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.511 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 98.1 m-85 -80.03 -13.35 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 84' ' ' SER . 30.1 mt-10 63.44 45.88 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.525 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 29.6 mm -81.29 92.07 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.8 p -110.25 38.93 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.2 p -158.5 141.78 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.535 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 29.5 m -145.07 151.25 48.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.5 Cg_endo -69.77 164.91 78.04 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.378 -0.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.5 m -160.9 115.72 2.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CD2' HD13 ' A' ' 115' ' ' LEU . 53.5 m-85 -98.09 145.63 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.9 mt -134.15 108.78 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -79.0 125.91 30.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -123.2 123.23 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -122.24 100.31 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 74.85 39.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 t 66.99 34.1 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -147.31 126.03 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -68.42 119.81 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 22.9 pt -106.87 -29.71 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -145.93 173.08 12.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -157.84 142.91 16.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -130.03 117.64 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.46 ' N ' HD23 ' A' ' 107' ' ' LEU . 30.4 t70 -103.26 140.1 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.27 156.93 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.23 106.89 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.087 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.6 m-70 -128.27 115.42 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.18 -58.64 5.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.552 0.692 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.79 -45.88 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 9.6 tt0 -54.06 -47.21 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 95' ' ' PHE . 48.6 tp -57.55 -54.34 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.3 m -55.05 -51.32 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -47.08 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -57.69 -47.41 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 85.8 t -50.36 -54.76 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.97 -49.38 77.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -52.42 -62.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 123' ' ' ALA . 64.5 m-70 -59.62 -46.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' HD23 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.807 0.337 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.61 127.46 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.97 103.84 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -53.27 116.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.24 -36.44 55.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 p -160.91 172.27 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.12 -46.56 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 -45.91 48.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -59.51 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -68.18 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -42.74 -41.63 3.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.05 -53.78 34.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -49.9 -44.75 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.7 mt -40.31 -43.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -73.28 -53.97 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 mt -53.99 -62.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -83.09 39.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.44 -47.02 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -58.86 -47.34 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -80.87 175.86 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' C ' ' A' ' 122' ' ' HIS . 26.2 tp -89.72 135.52 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 tp -112.71 141.49 46.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.77 104.65 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -94.57 98.43 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.3 t-160 -93.48 121.34 34.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 17.8 m-85 -80.44 110.62 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 35.8 p-90 -110.53 146.9 35.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.57 143.12 47.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.26 9.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.379 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.402 ' CD2' ' N ' ' A' ' 50' ' ' ALA . 69.7 p-90 -109.94 -45.2 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' N ' ' CD2' ' A' ' 49' ' ' TRP . . . -60.87 111.32 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.56 28.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.72 -50.1 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 11.8 t -38.98 -33.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.78 -70.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.78 -52.05 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.453 ' CG ' ' HB3' ' A' ' 110' ' ' ALA . 28.4 mmm -43.21 -26.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -74.21 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -28.19 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.1 t -65.73 -38.51 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 mtm -73.46 -39.97 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.89 -52.34 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.89 -40.75 85.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.36 -37.81 83.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.67 -57.16 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -44.56 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -51.8 -43.88 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -116.28 94.45 42.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.95 37.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -90.41 17.91 6.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 71' ' ' SER . 53.2 t -125.95 156.81 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 20.2 m -125.17 103.39 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.524 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 79.0 m-85 -92.31 115.36 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.3 124.45 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -103.5 123.49 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tt -115.85 136.09 53.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 79' ' ' GLY . 0.9 OUTLIER -84.85 107.81 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.16 -52.08 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.06 -25.13 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OE1' ' A' ' 76' ' ' GLU . . . -74.3 -61.41 3.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.1 t -107.92 81.41 1.21 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.181 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.12 19.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -44.66 -40.35 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.27 -51.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 88' ' ' GLU . 50.0 m -44.96 -39.93 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -58.6 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.438 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 9.1 tttp -38.86 -62.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.438 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 88.3 m-85 -79.71 -14.21 58.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' SER . 57.5 mt-10 64.32 47.23 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.559 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.4 mm -82.63 93.14 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.2 p -108.81 39.26 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -158.01 139.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.541 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 32.7 m -145.15 151.03 47.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.78 164.07 80.25 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.298 -0.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.0 m -161.09 113.45 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 24.9 m-85 -93.72 142.38 27.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.64 110.32 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -81.26 115.85 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -117.83 111.7 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -115.77 107.43 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 72.39 41.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.4 p 58.87 29.88 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -145.01 110.51 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -55.05 128.09 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 105' ' ' ASP . 40.0 pt -115.78 -34.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 104' ' ' ILE . 10.2 t70 -144.63 171.39 14.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 31.6 ttt180 -160.42 145.16 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -125.79 118.25 25.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -102.97 137.18 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.11 140.06 9.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.453 ' HB3' ' CG ' ' A' ' 56' ' ' MET . . . -66.14 97.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 70.8 m-70 -121.08 113.6 20.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.519 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -67.71 -58.2 8.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.68 -51.18 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.0 tp10 -49.58 -44.65 47.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 64.5 tp -53.37 -58.44 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 96.7 m -49.38 -44.2 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -47.4 -61.8 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -61.41 -43.99 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 87.0 t -52.54 -43.84 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -66.34 -48.3 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -60.22 -59.11 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 123' ' ' ALA . 59.5 m-70 -63.43 -39.03 93.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 119' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 21' ' ' GLU . 90.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' N ' HG12 ' A' ' 20' ' ' VAL . 4.5 mm-40 -92.44 146.35 23.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -98.03 106.07 18.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -89.58 99.55 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.46 37.07 4.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.0 p -173.67 144.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.92 89.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.77 -43.39 91.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -59.54 -50.69 72.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE1' HG23 ' A' ' 43' ' ' VAL . 16.8 t80 -66.26 -63.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -46.2 -39.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -70.74 -55.73 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.12 -35.52 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -46.45 -36.44 6.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 9.2 ptp180 -80.81 -43.17 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 58.5 mt -60.32 -57.1 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -91.77 39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.73 -58.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -45.17 -46.38 12.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -83.92 173.83 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.5 tp -86.36 133.42 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 tp -109.19 141.37 41.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t -128.17 105.81 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG23 ' CE1' ' A' ' 29' ' ' PHE . 88.0 t -95.85 102.39 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -93.77 132.45 38.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.554 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 9.2 m-85 -92.29 122.26 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.4 p-90 -124.21 132.94 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.46 147.5 37.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.02 3.88 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.465 ' CE3' ' N ' ' A' ' 50' ' ' ALA . 34.6 p-90 -119.79 -54.33 2.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.465 ' N ' ' CE3' ' A' ' 49' ' ' TRP . . . -50.24 107.64 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.513 0.673 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.95 3.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -75.82 -54.31 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.5 p -42.71 -24.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.0 -70.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -67.28 -52.23 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 27.0 mmm -42.3 -40.26 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -62.73 -46.87 86.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.21 -43.09 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.11 -43.84 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.3 mtp -58.21 -55.65 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.46 -50.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -64.83 -37.02 86.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' MET . 43.2 mt -66.2 -43.13 87.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.44 -53.67 21.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -66.67 -45.28 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -53.21 -46.31 69.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.8 mt -112.73 94.12 27.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -15.52 37.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -98.42 27.26 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 72.0 t -129.94 151.93 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.8 m -117.99 108.69 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.441 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 80.8 m-85 -100.33 125.41 46.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -137.25 128.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -108.8 126.92 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tt -121.1 141.97 50.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.541 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 10.2 tt0 -85.61 113.5 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.19 -46.59 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.09 -27.73 61.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.13 -48.0 34.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.0 t -116.47 85.59 16.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -27.47 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.719 2.28 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -53.38 -54.72 32.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.88 -46.62 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 m -53.42 -36.65 61.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.61 -56.27 13.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 87' ' ' TYR . 20.5 tttm -45.57 -60.24 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 95.2 m-85 -77.73 -12.45 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 62.4 45.2 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.554 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.3 mm -79.27 87.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -104.68 39.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.7 p -161.54 142.0 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.533 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 31.3 m -145.14 151.36 48.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.75 165.1 77.47 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.379 -0.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.4 m -159.66 119.0 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.498 ' CD2' HD12 ' A' ' 115' ' ' LEU . 21.4 m-85 -100.11 145.18 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.1 mt -132.0 105.07 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 98.3 m-85 -79.0 126.18 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.13 130.4 53.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -123.47 103.98 8.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.0 41.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m 66.98 31.55 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -148.41 118.84 7.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.03 117.53 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.1 pt -104.71 -32.89 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 104' ' ' ILE . 6.8 t70 -141.79 172.7 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -162.27 143.1 10.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 3.5 tt -127.45 118.11 23.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.74 137.92 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.21 143.88 11.1 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.421 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -68.13 102.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 97.7 m-70 -125.47 113.67 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.504 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.52 -59.04 6.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.77 -46.71 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.8 tp10 -54.84 -42.55 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 95' ' ' PHE . 21.0 tp -58.21 -59.39 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.4 m -44.26 -43.29 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -52.68 -59.88 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.465 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 35.8 mttp -59.97 -44.0 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.12 -62.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -60.28 -45.47 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -53.6 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 123' ' ' ALA . 72.4 m-70 -60.85 -45.76 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.467 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -87.25 127.71 35.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.22 115.2 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.3 t -101.84 90.36 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' C ' ' CG2' ' A' ' 80' ' ' VAL . . . -101.58 37.43 3.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.441 ' N ' HG21 ' A' ' 80' ' ' VAL . 42.0 p -173.52 139.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' N ' HG11 ' A' ' 80' ' ' VAL . . . -51.42 -56.07 15.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.18 -45.86 8.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -51.24 -54.78 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.02 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -44.37 -41.15 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.36 -55.0 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ARG . 5.3 tp -53.09 -50.28 64.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.8 mt -34.35 -34.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LEU . 73.1 mtt180 -79.25 -60.16 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -50.62 -50.5 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' CG ' ' HG ' ' A' ' 32' ' ' LEU . 31.9 mmtp -88.95 40.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.35 19.7 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -122.05 -49.44 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -88.24 163.5 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 123' ' ' ALA . 19.8 tp -68.21 111.78 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 tp -91.84 135.73 33.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -125.94 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -97.92 109.9 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.449 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 8.4 t-80 -98.6 134.08 42.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.3 m-85 -93.06 115.52 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.9 p-90 -114.8 139.82 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.465 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . . . -128.26 142.0 43.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.4 36.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CZ2' HG22 ' A' ' 92' ' ' VAL . 51.4 p-90 -91.7 -34.86 14.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.23 112.27 34.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -8.68 24.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' ALA . 72.7 mt-30 -69.21 -53.64 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -38.8 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -60.01 -69.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -37.73 55.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.1 mmt -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -56.12 -57.52 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 4.0 pt-20 -55.17 -31.79 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 79.3 t -68.38 -40.15 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.449 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 82.3 mtp -61.02 -58.94 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.05 -60.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.79 -40.34 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -35.45 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 -60.15 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -62.54 -48.65 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.9 -42.36 59.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.2 mt -114.35 90.72 21.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -21.69 33.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -89.52 21.12 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.8 t -130.45 154.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -120.15 116.83 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -102.58 114.4 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG13 ' CD2' ' A' ' 32' ' ' LEU . 28.7 m -128.53 123.6 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -99.79 130.67 46.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.419 HD21 ' C ' ' A' ' 76' ' ' GLU . 8.8 tt -112.69 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 79' ' ' GLY . 58.1 tt0 -82.92 103.35 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.03 -39.14 59.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -96.74 22.05 8.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' HG2' ' A' ' 76' ' ' GLU . . . -123.94 -36.0 0.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 25' ' ' SER . 60.8 t -129.04 77.76 77.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -6.9 19.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.18 -32.29 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.02 -39.45 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 72.1 m -56.75 -32.07 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 86' ' ' LYS . 16.6 pt-20 -68.48 -47.85 66.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 39.5 tttp -52.82 -57.53 9.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -81.83 -11.43 58.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 62.25 44.64 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 28.7 mm -81.19 85.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -107.46 38.97 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -156.6 138.48 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.544 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 17.0 m -145.28 150.45 44.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.78 160.71 87.63 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 m -161.19 118.12 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' A' ' 115' ' ' LEU . 27.4 m-85 -97.2 152.1 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.5 mt -135.08 105.5 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -82.75 119.23 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -115.44 137.24 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.433 ' CB ' HG21 ' A' ' 104' ' ' ILE . 1.2 tptm -125.54 93.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 70.8 49.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 m 62.72 36.53 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -150.95 112.59 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -59.05 116.27 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.5 pt -105.73 -34.19 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.443 ' N ' HG13 ' A' ' 104' ' ' ILE . 21.5 t70 -141.69 171.77 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -163.11 148.83 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.5 tt -133.81 122.21 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -109.11 135.52 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.55 166.01 26.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.58 88.38 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 82.0 m-70 -115.81 113.76 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.55 -57.9 6.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.73 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -48.64 -46.07 39.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 95' ' ' PHE . 35.2 tp -54.47 -55.0 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 -49.99 75.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -48.61 -54.19 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -61.71 -47.75 83.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 59.2 t -52.16 -53.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -66.99 -39.55 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -49.31 -61.22 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 83.5 m-70 -67.62 -51.3 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.476 ' N ' HD23 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 72' ' ' PHE . 7.5 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -95.7 156.75 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -108.21 140.26 41.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.88 117.58 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.6 21.7 10.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.7 p -163.39 138.78 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.78 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.05 -40.09 96.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.41 -52.31 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.354 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.38 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -50.22 -37.32 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -56.91 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 7.8 tp -50.97 -44.66 60.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' LEU . 19.1 mt -35.21 -40.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -77.02 -41.71 41.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . 36.2 mt -63.98 -55.85 19.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -95.52 39.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 100' ' ' ASN . . . -74.93 -46.89 32.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.9 p -80.31 174.76 11.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 123' ' ' ALA . 57.6 tp -92.03 119.07 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 tp -98.45 147.95 24.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.97 107.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' CG2' ' A' ' 73' ' ' VAL . 66.6 t -97.81 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -95.5 128.8 42.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CE1' HG13 ' A' ' 89' ' ' ILE . 17.7 m-85 -89.62 112.28 23.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -120.6 137.22 54.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . . . -130.66 142.57 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.5 14.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.673 2.248 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.418 ' NE1' ' HB3' ' A' ' 47' ' ' ALA . 48.0 p-90 -107.94 6.95 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.12 123.17 26.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -36.36 10.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.95 -48.15 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.4 m -52.99 -16.07 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.04 -64.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -62.34 -41.37 98.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 mmt -51.59 -45.87 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -59.1 -45.28 91.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.17 -48.16 74.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -48.9 -49.14 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 mtm -59.18 -41.43 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.84 -50.06 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.29 -47.26 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.04 -43.14 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.68 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -72.48 -42.72 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.35 -42.24 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.04 95.8 43.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.611 0.719 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -43.85 2.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -26.48 59.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.515 HG12 ' CE1' ' A' ' 72' ' ' PHE . 39.4 t -85.02 125.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -99.3 101.27 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.515 ' CE1' HG12 ' A' ' 70' ' ' VAL . 73.9 m-85 -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.427 ' CG2' HG22 ' A' ' 43' ' ' VAL . 27.1 m -117.3 124.33 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -106.03 123.99 48.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 75' ' ' LEU . 2.8 tt -121.66 144.28 48.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' C ' HD21 ' A' ' 75' ' ' LEU . 11.7 tt0 -91.25 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.35 -51.83 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.13 -27.62 64.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.37 -44.84 57.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -127.42 83.91 64.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -23.98 30.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -50.93 -54.21 26.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.77 -48.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.0 m -47.98 -40.0 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.93 -54.96 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -42.49 -62.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.26 -13.91 59.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' SER . 29.8 mt-10 65.95 43.8 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.542 HG13 ' CE1' ' A' ' 45' ' ' PHE . 31.3 mm -77.99 84.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -103.87 39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -160.08 140.63 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.536 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 23.1 m -144.99 151.61 49.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 111.061 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.3 Cg_endo -69.78 165.04 77.74 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.286 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.6 m -160.85 120.12 2.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.32 143.19 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.4 mt -133.48 111.09 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.12 127.03 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -124.44 118.08 25.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -118.22 119.34 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' ALA . 28.0 t30 59.55 32.22 21.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 102' ' ' GLN . 9.9 t 69.32 45.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 101' ' ' SER . 17.2 mt-30 -161.07 112.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -55.05 131.59 45.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 105' ' ' ASP . 9.2 pt -127.47 -28.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.8 t70 -137.95 165.06 27.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -160.15 139.8 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.0 tt -123.76 120.11 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.436 ' N ' HD21 ' A' ' 107' ' ' LEU . 1.8 m-20 -111.22 129.57 55.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.433 ' O ' ' CD2' ' A' ' 111' ' ' HIS . . . 103.55 127.0 5.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.9 102.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 92.4 m-70 -130.02 113.75 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.501 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.65 -58.39 5.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 54.0 Cg_endo -69.81 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 6.3 tp10 -48.9 -46.39 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 47.1 tp -53.4 -57.02 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.42 HG21 ' CD ' ' A' ' 120' ' ' GLN . 66.1 m -50.45 -57.03 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -42.06 -61.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.76 -53.44 55.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.0 t -46.57 -52.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.42 ' CD ' HG21 ' A' ' 116' ' ' THR . 58.7 mt-30 -63.38 -52.54 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -41.21 -51.11 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.432 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 89.2 m-70 -74.87 -49.28 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.454 ' N ' HD21 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.34 142.35 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -99.65 109.46 21.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.1 t -97.7 108.94 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.68 34.79 5.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.491 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 84.3 p -171.34 146.77 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.94 95.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -63.24 -51.54 65.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CE1' HG21 ' A' ' 43' ' ' VAL . 16.3 t80 -58.34 -62.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -48.11 -38.72 18.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' HG12 ' A' ' 73' ' ' VAL . 2.5 tp -45.43 -47.92 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.9 mt -42.15 -35.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -68.39 -56.39 8.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.44 -51.14 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -89.2 36.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.15 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -76.68 -27.19 55.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 m -91.51 148.21 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 HD21 ' N ' ' A' ' 123' ' ' ALA . 37.7 tp -67.66 117.01 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 tp -98.34 144.18 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.7 t -136.93 105.43 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 29' ' ' PHE . 94.2 t -90.94 111.57 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -97.64 128.41 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE1' HG13 ' A' ' 89' ' ' ILE . 24.5 m-85 -91.58 110.05 21.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -111.33 142.51 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.35 143.92 44.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -110.66 -60.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.465 ' CB ' HG23 ' A' ' 92' ' ' VAL . . . -44.6 107.68 0.65 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -82.69 -49.16 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 p -47.93 -19.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.05 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -58.74 -42.71 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.9 mmt -54.97 -29.31 56.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.87 -63.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -49.8 -39.45 38.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.63 -40.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.3 mtp -59.02 -62.18 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.75 -51.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.1 -39.67 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' MET . 77.3 mt -69.72 -42.78 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.08 -61.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -65.64 -44.42 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.39 -36.11 41.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.409 ' CD1' HG13 ' A' ' 119' ' ' VAL . 16.6 mt -125.41 92.85 46.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -15.48 36.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.317 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -95.37 20.19 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 71' ' ' SER . 95.7 t -126.15 156.4 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 70' ' ' VAL . 50.6 m -122.42 111.35 16.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.91 122.44 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.404 HG12 ' CD2' ' A' ' 32' ' ' LEU . 35.3 m -135.05 125.1 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.13 134.41 44.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 76' ' ' GLU . 6.2 tt -123.54 132.91 54.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLY . 31.9 tt0 -80.09 107.75 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.58 -42.5 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.68 -19.81 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -77.55 -55.39 4.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 25' ' ' SER . 69.6 t -114.01 82.04 6.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.02 28.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.6 -54.16 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.23 -45.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.0 m -44.89 -43.17 8.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.81 -59.93 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 7.2 tmtm? -39.07 -61.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.479 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 95.1 m-85 -79.59 -12.65 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 84' ' ' SER . 33.1 mt-10 63.9 41.52 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.56 HG13 ' CE1' ' A' ' 45' ' ' PHE . 38.6 mm -81.77 85.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -109.39 39.47 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.57 151.31 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 30.9 m -145.79 151.51 46.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.76 165.16 77.36 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.33 -0.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.444 ' CG2' HD13 ' A' ' 89' ' ' ILE . 61.3 m -160.83 122.18 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CE2' HD12 ' A' ' 115' ' ' LEU . 30.8 m-85 -109.88 149.97 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.0 mt -137.53 106.24 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -80.41 126.27 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -122.09 124.65 44.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -119.29 102.29 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.0 t30 72.93 32.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t 74.34 34.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -148.39 121.84 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -64.28 128.94 37.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 29.7 pt -124.65 -24.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -146.42 168.24 21.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 12.2 ttt180 -162.89 145.86 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.9 tt -130.54 113.21 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.78 117.64 34.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.415 ' C ' ' HG2' ' A' ' 93' ' ' PRO . . . 123.08 151.91 8.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.73 84.33 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 98.7 m-70 -116.19 113.56 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.495 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -66.81 -59.16 8.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.83 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 13.9 tp10 -46.67 -39.08 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 95' ' ' PHE . 31.2 tp -65.47 -57.27 8.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.9 m -47.99 -56.4 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -44.29 -57.26 3.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 50.2 mttm -56.78 -48.6 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 67' ' ' LEU . 64.1 t -53.7 -46.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -66.57 -51.54 55.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -47.01 -58.55 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 123' ' ' ALA . 79.1 m-70 -66.5 -44.38 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.468 ' N ' HD21 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.855 0.359 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -96.7 135.11 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -94.34 126.73 39.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -92.73 129.59 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.16 -21.11 18.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.4 p -166.41 164.01 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.11 -25.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.87 -51.89 56.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -47.27 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.494 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 37.5 t80 -66.34 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.55 -25.65 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -48.66 9.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' CD2' HG13 ' A' ' 73' ' ' VAL . 1.5 tp -61.37 -16.7 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -80.89 -39.79 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.38 -52.38 65.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -96.11 26.45 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.46 69.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -78.36 158.83 28.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 123' ' ' ALA . 26.5 tp -79.1 115.55 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tp -95.85 141.27 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -132.14 104.22 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.494 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 24.7 t -85.98 128.06 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 3.6 t-80 -118.85 126.08 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 33.7 m-85 -89.72 116.68 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 35.3 p-90 -124.44 139.88 53.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB2' ' NE1' ' A' ' 49' ' ' TRP . . . -123.12 143.03 39.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -6.21 18.03 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 47' ' ' ALA . 46.4 p-90 -105.87 -40.63 5.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.99 114.98 33.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -6.39 18.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.61 -61.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.7 p -38.15 -33.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -70.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' O ' ' NE2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -53.31 -31.6 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.454 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 47.0 mmm -72.29 -34.31 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -59.76 -46.89 87.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.12 -57.19 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.37 -47.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' LEU . 42.0 mtp -49.83 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -35.1 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.47 -45.62 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' MET . 33.5 mt -64.85 -44.87 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.03 -54.9 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -42.2 81.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LEU . 25.1 mt -132.61 88.97 37.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.552 0.692 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.39 7.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -5.85 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 83.9 t -104.64 145.48 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -114.62 106.53 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 60.8 m-85 -94.37 131.78 39.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 32' ' ' LEU . 23.9 m -141.38 131.86 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 153.64 20.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 75' ' ' LEU . 7.9 tt -143.08 130.77 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.69 108.02 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.64 -40.32 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.95 -18.9 52.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.3 -60.58 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.45 81.85 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.135 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -25.48 28.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -51.29 -42.68 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 68.9 t -78.79 -54.93 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.7 m -44.96 -43.41 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.8 mt-10 -55.85 -59.69 4.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -36.87 -63.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 59.6 m-85 -78.48 -10.17 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLU . 21.8 mt-10 62.28 42.9 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.56 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 4.9 mm -77.47 84.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -102.83 40.28 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 m -157.76 136.89 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.531 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 6.0 m -144.95 153.36 53.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.6 Cg_endo -69.75 160.53 87.85 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.354 -0.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -159.85 133.46 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.552 ' CD2' HD13 ' A' ' 115' ' ' LEU . 39.0 m-85 -110.94 155.46 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.47 HD21 ' CG ' ' A' ' 106' ' ' ARG . 30.6 mt -146.57 107.45 4.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -81.11 123.5 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 72.3 m-85 -116.06 111.68 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -107.0 110.94 23.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.08 40.56 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.3 m 63.38 36.31 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -150.09 114.35 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -56.82 124.49 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.3 pt -117.82 -29.87 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.436 ' OD2' ' NE2' ' A' ' 122' ' ' HIS . 13.1 t0 -149.44 155.87 41.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.47 ' CG ' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.26 141.9 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.3 tt -115.44 127.59 55.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.407 ' N ' HD23 ' A' ' 107' ' ' LEU . 41.9 t0 -108.8 134.65 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.23 143.09 9.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.31 107.72 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.435 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 94.8 m-70 -134.06 119.87 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.481 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.31 -60.02 5.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.697 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.0 tt0 -46.63 -36.17 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 95' ' ' PHE . 44.1 tp -67.89 -58.33 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.2 m -48.27 -46.06 35.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -53.1 -58.84 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 50.4 mttm -57.12 -37.8 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.01 -50.49 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.62 -49.14 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -47.77 -57.28 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.5 m-70 -69.49 -47.98 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.427 ' N ' HD21 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.826 0.346 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -87.64 150.04 23.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -105.22 113.0 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.66 111.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.51 36.52 3.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.1 p -174.19 141.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.86 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.84 -45.33 61.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -58.53 -53.62 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -62.2 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -50.29 -36.96 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 32' ' ' LEU . 4.1 tm-20 -67.94 -50.47 55.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 6.7 tp -56.95 -45.0 83.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' LEU . 7.4 mt -36.32 -44.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -61.62 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.51 -50.9 51.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -90.1 40.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.77 -49.48 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -62.72 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 170.6 14.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -89.59 114.85 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 tp -92.03 144.83 25.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.72 107.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.2 t -91.32 137.09 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.98 126.37 46.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 21.0 m-85 -90.42 111.85 23.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 76' ' ' GLU . 34.2 p-90 -114.74 134.66 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.427 ' HB2' ' NE1' ' A' ' 49' ' ' TRP . . . -114.74 141.62 27.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.427 ' NE1' ' HB2' ' A' ' 47' ' ' ALA . 18.1 p-90 -120.17 -43.99 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 111.43 6.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -0.8 7.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -80.28 -44.06 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 29.3 p -52.63 -19.68 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -69.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -52.64 -38.57 60.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 mmt -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 53' ' ' CYS . 18.6 m-20 -54.32 -42.48 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.57 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.1 -46.91 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 63' ' ' LEU . 78.8 mtp -49.14 -60.75 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.48 -49.97 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -56.84 -32.11 65.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 59.8 mt -79.7 -42.69 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.75 -63.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -62.68 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -52.25 -38.32 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.5 mt -126.45 91.46 47.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -15.14 36.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -90.08 17.56 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 71' ' ' SER . 90.4 t -128.99 156.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.462 ' N ' HG11 ' A' ' 70' ' ' VAL . 2.1 m -122.0 109.18 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -95.99 112.69 24.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 m -122.51 127.42 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -106.07 135.19 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.2 tt -129.32 136.06 49.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.515 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 28.5 tt0 -83.7 114.28 21.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.21 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -69.4 -20.01 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.08 -45.24 10.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.8 t -120.02 82.59 29.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -27.04 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.69 -51.02 68.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.4 t -71.95 -53.22 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.9 m -45.9 -39.48 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -62.17 -56.62 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -45.15 -58.99 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -78.11 -13.15 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' SER . 46.0 mt-10 62.38 41.58 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.55 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.9 mm -77.82 83.69 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.2 t -103.99 39.28 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -158.24 139.09 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.541 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 30.9 m -144.92 151.36 48.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.74 161.42 86.17 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.362 -0.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 m -160.94 117.6 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CD2' HD13 ' A' ' 115' ' ' LEU . 46.3 m-85 -95.33 151.08 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 18.6 mt -137.84 107.04 6.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.556 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 58.7 m-85 -78.99 124.97 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 93.0 m-85 -122.89 118.99 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 104' ' ' ILE . 5.9 mmtp -116.28 116.57 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 56.93 41.98 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m 63.74 37.99 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -152.27 107.5 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -56.59 121.43 9.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 20.2 pt -113.6 -26.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.556 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 30.9 t70 -140.4 168.01 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -163.06 139.06 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 108' ' ' ASP . 2.0 tt -126.7 127.02 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.456 ' N ' HD23 ' A' ' 107' ' ' LEU . 2.6 p30 -115.9 135.42 54.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.3 141.96 12.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.33 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 98.3 m-70 -122.52 111.26 16.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.7 -59.09 4.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.699 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.74 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -48.72 -45.06 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.54 HD13 ' CD2' ' A' ' 95' ' ' PHE . 44.4 tp -54.92 -57.99 9.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 117' ' ' LYS . 42.3 m -46.38 -63.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 116' ' ' THR . 41.6 mttp -35.99 -62.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.493 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 40.1 mttm -55.25 -51.95 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -49.31 -64.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -55.37 -51.98 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -46.06 -54.04 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 62.6 m-70 -71.55 -24.46 61.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.794 0.33 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.99 140.29 39.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.74 119.91 38.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -76.28 119.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.25 -32.71 16.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -160.53 170.85 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -50.15 -58.83 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.19 -46.76 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.549 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -59.49 -46.81 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 43' ' ' VAL . 34.2 t80 -70.61 -60.79 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 74.6 mt-10 -47.18 -40.18 15.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -66.63 -54.99 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LEU . 2.0 tp -52.85 -47.13 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' LEU . 10.3 mt -34.45 -42.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 5.7 mpt_? -74.16 -56.73 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mt -47.72 -56.94 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -89.59 40.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.75 -45.71 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -60.56 -22.94 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -110.5 159.82 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 HD21 ' C ' ' A' ' 122' ' ' HIS . 18.7 tp -70.81 131.29 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.3 tp -107.09 152.49 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.9 t -140.82 107.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 29' ' ' PHE . 69.8 t -97.97 98.3 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.546 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 4.4 t-160 -90.55 113.89 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 11.8 m-85 -72.42 103.46 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 31.9 p-90 -98.58 133.48 42.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.2 146.19 35.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.54 20.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -89.62 -46.95 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.63 108.66 1.25 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.75 35.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.32 -42.26 69.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -46.69 -22.9 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.54 -67.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -43.86 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.1 mmt -56.16 -17.23 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -82.52 -52.57 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -66.9 -35.08 79.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.75 -39.32 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 mtm -70.76 -45.35 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.27 -55.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -53.23 -38.51 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.27 -34.3 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -58.23 -52.28 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -71.02 -36.2 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.66 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -116.42 94.04 41.67 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.84 37.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.5 pm0 -88.79 13.02 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 71' ' ' SER . 68.4 t -122.97 156.42 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 27.7 m -123.95 111.17 15.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 93.7 m-85 -100.67 111.96 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.03 122.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.89 124.24 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tt -117.08 142.95 46.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 20.9 tt0 -85.68 116.4 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.38 -33.25 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -91.92 -21.83 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.89 5.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.71 81.16 5.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -28.26 25.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -46.72 -44.95 19.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.2 t -80.73 -48.34 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 88' ' ' GLU . 25.0 m -47.11 -41.27 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.6 -57.29 11.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -43.82 -58.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.18 -13.52 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' SER . 28.5 mt-10 63.28 47.71 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.558 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 23.3 mm -84.52 89.31 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -105.11 39.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -160.54 136.87 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.538 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 31.0 m -143.86 151.25 52.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.735 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.79 164.61 78.85 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.362 -0.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 m -160.58 115.77 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CE2' HD22 ' A' ' 115' ' ' LEU . 31.7 m-85 -95.03 139.46 31.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 35.2 mt -126.02 112.98 16.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.517 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 63.6 m-85 -84.17 117.68 23.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 96' ' ' LEU . 64.5 m-85 -121.22 112.48 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -114.75 111.29 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 71.56 39.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 p 61.56 36.11 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -150.46 116.9 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -59.67 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 105' ' ' ASP . 25.3 pt -118.14 -28.39 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.517 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 25.7 t70 -142.82 167.98 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -162.0 134.83 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.4 tt -118.73 114.74 23.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.79 128.45 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.74 135.66 9.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.07 109.14 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.6 m-70 -135.85 117.0 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.474 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.78 -60.11 4.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 5.5 tp10 -49.78 -37.21 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 95' ' ' PHE . 32.1 tp -66.24 -61.77 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.7 m -43.99 -57.47 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -43.66 -62.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.45 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 40.3 mttm -53.5 -42.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.3 t -58.49 -61.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -52.16 -52.49 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -52.85 -62.6 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 72.4 m-70 -64.12 -13.4 47.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.5 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.768 0.318 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.43 142.58 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.49 104.97 17.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.08 107.5 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.63 39.24 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 p -172.96 136.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.77 -37.25 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -59.01 -47.94 88.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -57.18 -49.25 76.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 43' ' ' VAL . 16.7 t80 -66.77 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -49.29 -37.77 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 26.9 tt0 -66.82 -51.95 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.97 -43.0 69.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -38.28 -35.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 12.3 mtp-105 -77.39 -54.21 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.65 -54.65 41.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -87.62 40.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.03 -46.33 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -45.57 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.1 p -81.24 174.12 11.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.02 127.99 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 tp -102.52 143.19 32.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.57 103.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.421 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.1 t -92.72 117.6 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.437 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 7.6 t-80 -106.85 120.96 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.547 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 14.0 m-85 -79.5 120.14 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 21.0 p-90 -123.39 120.63 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.21 145.54 33.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.15 20.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CH2' ' CG2' ' A' ' 92' ' ' VAL . 43.5 p-90 -112.54 13.24 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' CB ' HG21 ' A' ' 92' ' ' VAL . . . -122.69 108.69 32.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -26.8 27.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.14 -34.67 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.1 m -51.23 -20.58 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -67.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -37.68 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.9 mmt -66.3 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -63.17 -48.43 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.06 -57.74 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.3 t -47.85 -42.16 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.437 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 79.0 mtp -56.63 -64.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.2 -61.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -51.23 -46.04 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.9 mt -59.31 -50.14 75.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.89 -57.46 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -67.27 -40.24 86.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.83 -36.27 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.86 90.74 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -15.73 36.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -88.35 9.22 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -123.45 150.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m -115.59 109.34 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -95.89 123.49 39.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.88 134.57 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.62 133.69 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 76' ' ' GLU . 4.2 tt -128.06 144.29 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.571 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 38.4 tt0 -87.88 108.49 19.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.01 -52.28 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -68.87 -25.67 64.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.76 -40.6 44.91 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -124.63 81.25 60.71 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.561 0.696 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.14 37.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.376 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.54 -44.42 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.4 t -79.1 -48.08 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' GLU . 75.3 m -50.1 -40.47 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -61.87 -53.14 59.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.516 ' HD2' ' CE1' ' A' ' 87' ' ' TYR . 10.7 ttmm -45.24 -60.88 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.516 ' CE1' ' HD2' ' A' ' 86' ' ' LYS . 84.1 m-85 -80.95 -11.71 59.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 84' ' ' SER . 84.7 mt-10 62.43 48.8 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.547 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 22.1 mm -81.92 88.4 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.5 m -106.73 39.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.419 ' C ' HG11 ' A' ' 92' ' ' VAL . 76.5 p -158.06 134.58 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.543 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 20.0 m -140.92 150.56 59.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.75 165.17 77.32 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.334 -0.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.5 m -160.46 130.78 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CD2' HD13 ' A' ' 115' ' ' LEU . 60.1 m-85 -109.15 147.87 31.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.476 HD21 ' CG ' ' A' ' 106' ' ' ARG . 29.4 mt -141.1 107.78 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.96 123.48 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.25 117.05 28.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -110.38 124.81 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 50.81 31.71 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.3 t 74.93 30.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -144.78 115.3 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -59.09 127.12 30.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.9 pt -118.95 -22.8 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.42 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 13.1 t0 -155.4 163.51 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' CG ' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -157.26 138.12 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 3.1 tt -107.52 136.75 46.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -121.64 118.79 30.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.22 131.92 7.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.81 101.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 89.5 m-70 -128.55 118.86 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.487 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.7 -59.5 5.58 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.77 -47.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.742 2.294 . . . . 0.0 112.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 10.7 tp10 -52.21 -44.4 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 95' ' ' PHE . 48.2 tp -55.85 -54.53 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.7 m -56.14 -40.95 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -52.12 -60.52 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 36.5 mttm -59.41 -39.13 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.7 t -57.8 -50.69 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.41 -51.26 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -51.53 -48.6 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.0 m-70 -71.09 -41.59 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -90.87 148.26 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -97.19 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.7 t -98.54 120.1 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.5 13.24 9.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.4 p -150.37 148.57 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' N ' HG11 ' A' ' 80' ' ' VAL . . . -67.38 -31.27 71.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -63.02 -44.27 97.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.6 -44.93 92.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.9 t80 -61.22 -62.86 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.88 -32.63 66.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -71.18 -26.48 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.423 ' CD2' HG13 ' A' ' 73' ' ' VAL . 7.0 tp -83.51 -32.9 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -47.3 -30.05 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 1.8 ptp180 -86.54 -38.08 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.01 -53.89 38.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -89.33 30.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -1.47 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -100.09 -30.95 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -105.73 174.57 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 HD22 ' CA ' ' A' ' 123' ' ' ALA . 32.2 tp -82.22 109.56 16.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.1 tp -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.08 102.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 29' ' ' PHE . 86.6 t -85.65 110.27 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 95' ' ' PHE . 17.6 t-80 -101.19 116.43 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CE2' ' CG2' ' A' ' 89' ' ' ILE . 3.1 m-85 -74.4 113.76 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -116.31 129.52 56.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.48 144.27 32.09 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.562 0.696 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.33 5.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -112.6 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.76 104.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.42 4.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG2' ' CB ' ' A' ' 110' ' ' ALA . 6.0 tt0 -82.21 -50.06 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 17.5 p -40.82 -36.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -35.79 -70.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 56' ' ' MET . 1.4 pt20 -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 15.0 mmm -64.67 -27.02 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -70.06 -52.85 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 t -63.23 -42.8 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LEU . 76.3 mtp -62.62 -60.8 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.55 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.58 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' MET . 29.8 mt -75.04 -40.82 60.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.55 36.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -62.17 -46.39 89.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -58.17 -39.24 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.405 HD12 ' NE2' ' A' ' 120' ' ' GLN . 41.2 mt -118.36 87.27 29.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -23.85 30.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.318 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -73.72 -20.12 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.8 t -94.77 153.61 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -116.98 116.56 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.68 124.0 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' A' ' 32' ' ' LEU . 2.3 m -130.28 127.38 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -104.01 132.72 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tt -127.12 133.69 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -82.14 110.33 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.01 -55.89 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' N ' ' OE2' ' A' ' 76' ' ' GLU . 20.5 mt-10 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.16 -39.72 18.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 26' ' ' ALA . 17.9 t -126.83 81.05 69.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.39 16.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.97 -48.65 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.1 t -74.48 -47.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.7 m -48.99 -35.33 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.29 -52.27 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.89 -35.52 75.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.47 -13.65 24.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 mt-10 62.68 30.16 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.596 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 3.0 mm -68.93 85.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -105.26 41.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 p -163.41 135.69 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.0 m -145.15 154.09 53.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.72 162.15 84.62 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.368 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -154.55 124.59 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' A' ' 44' ' ' HIS . 31.1 m-85 -101.46 133.73 45.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 89' ' ' ILE . 31.5 mt -120.08 110.73 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -81.39 125.25 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -123.63 111.99 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -108.14 110.21 21.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 67.95 39.16 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p 64.49 37.5 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -151.64 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.46 124.45 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.8 pt -119.55 -20.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -147.9 170.6 17.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -162.69 127.27 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -112.68 108.29 17.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -90.07 129.81 36.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.22 159.66 30.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 52' ' ' GLN . . . -84.99 94.53 8.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 94.5 m-70 -114.75 112.76 23.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.494 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -65.35 -59.42 9.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.5 OUTLIER -50.56 -45.28 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 95' ' ' PHE . 58.1 tp -52.36 -56.85 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.3 m -51.59 -42.45 61.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -50.94 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -58.27 -48.89 79.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.6 t -48.29 -58.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' A' ' 67' ' ' LEU . 35.7 mm-40 -62.16 -50.94 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -42.74 -61.08 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -67.38 -49.56 63.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.457 ' CA ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.766 0.317 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.1 145.83 39.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -100.96 122.66 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -86.7 117.34 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.07 -31.82 27.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.0 p -158.82 169.92 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -54.2 -51.95 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -35.91 -54.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.94 -58.25 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CE2' HD12 ' A' ' 33' ' ' LEU . 30.4 t80 -47.18 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.05 -39.04 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.54 -43.1 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD2' HG11 ' A' ' 73' ' ' VAL . 2.5 tp -65.8 -35.94 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 29' ' ' PHE . 13.1 mt -50.14 -38.23 38.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -74.39 -60.93 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.12 -56.21 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -86.65 41.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.18 -47.85 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -63.24 -41.69 99.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -81.78 157.64 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 tp -78.54 118.32 20.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -97.9 137.33 36.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -123.11 103.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.2 t -89.58 98.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -90.94 144.57 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 18.0 m-85 -106.89 111.2 23.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -109.99 148.98 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.27 144.14 44.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.75 33.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.46 ' CZ3' ' HB1' ' A' ' 50' ' ' ALA . 24.8 p-90 -91.26 -57.83 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB1' ' CZ3' ' A' ' 49' ' ' TRP . . . -60.43 116.21 16.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.92 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -38.77 -48.0 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.8 -50.71 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -39.98 -52.97 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 8.6 mmt -52.67 -53.22 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -39.78 -53.24 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.26 -41.21 98.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.0 t -56.05 -53.02 43.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.6 mtm -61.1 -47.74 84.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.62 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.25 -56.28 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 116' ' ' THR . 36.3 mt -42.78 -50.72 5.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.35 -42.96 43.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -66.15 -39.37 89.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -68.19 -43.53 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.46 HD21 ' NE2' ' A' ' 69' ' ' GLN . 5.7 mt -116.7 94.21 43.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.35 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.46 ' NE2' HD21 ' A' ' 67' ' ' LEU . 11.9 pm0 -65.71 -27.83 68.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' SER . 95.6 t -78.34 150.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -116.33 106.75 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 57.3 m-85 -96.03 128.56 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 32' ' ' LEU . 31.5 m -138.77 121.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -102.15 131.95 48.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.461 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 2.5 tt -125.2 140.28 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.99 109.93 19.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.15 -40.81 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -83.48 -28.03 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.03 -54.2 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 41.2 t -110.49 82.55 2.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.38 20.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -46.34 -52.46 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.3 -51.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.9 m -43.97 -35.64 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -70.36 -54.71 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.528 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 32.1 ttmt -42.34 -62.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 86.4 m-85 -78.98 -14.16 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 66.88 45.37 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.558 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 40.6 mm -78.16 89.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.9 t -111.97 40.74 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.3 p -161.69 143.54 11.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.527 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 34.9 m -145.19 150.56 45.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.7 161.18 86.54 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.411 -0.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.1 m -161.13 118.94 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CZ ' HD12 ' A' ' 115' ' ' LEU . 44.8 m-85 -102.06 154.07 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.1 mt -141.11 105.52 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 53.6 m-85 -79.18 124.53 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 38.8 m-85 -119.84 111.2 17.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.11 107.88 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 70.36 40.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m 64.26 33.39 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -149.31 128.32 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -68.24 134.09 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 105' ' ' ASP . 35.4 pt -124.77 -33.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 31.0 t70 -135.6 169.87 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -162.42 122.44 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.5 tt -108.95 122.39 47.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.401 ' N ' HD22 ' A' ' 107' ' ' LEU . 1.5 t70 -117.56 132.17 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.15 129.67 6.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 93' ' ' PRO . . . -51.85 103.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 74.4 m-70 -133.99 114.81 13.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.519 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.83 -58.23 5.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.3 Cg_endo -69.73 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 11.9 tp10 -48.26 -43.44 32.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.53 HD12 ' CZ ' ' A' ' 95' ' ' PHE . 30.8 tp -55.86 -62.1 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.464 HG23 ' CD2' ' A' ' 63' ' ' LEU . 97.3 m -50.82 -52.51 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -46.43 -60.98 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 29.2 mttm -55.99 -49.35 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.6 t -50.34 -64.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -50.37 -57.05 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -43.32 -62.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 71.5 m-70 -60.96 -23.3 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.93 144.81 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -96.25 109.73 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.5 t -88.52 102.53 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.44 31.75 8.16 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.459 ' CA ' HG22 ' A' ' 80' ' ' VAL . 54.1 p -170.87 138.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.08 -40.62 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.1 -46.62 84.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.18 -50.0 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -59.81 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -48.29 -38.87 19.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -67.58 -37.59 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.7 -36.78 73.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 mt -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 35' ' ' LEU . 7.7 ptt180 -76.32 -37.26 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 34.7 mt -61.61 -54.26 45.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -98.89 39.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.14 -59.51 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.44 -40.5 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.9 m -87.14 179.33 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -92.73 116.08 28.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.89 150.53 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -136.64 114.1 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -103.69 102.16 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 1.9 t-160 -94.83 122.58 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD2' HG23 ' A' ' 89' ' ' ILE . 13.3 m-85 -79.34 107.24 11.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 14.2 p-90 -106.85 134.43 50.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 144.95 55.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -20.39 34.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -101.37 21.2 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.44 111.07 15.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -46.9 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -48.06 -30.87 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 53.9 m -65.26 -46.63 79.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -38.33 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.6 mmt -60.13 -20.67 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -82.95 -60.53 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.15 -30.26 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.62 -45.42 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.1 mtm -60.64 -43.45 97.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.35 -50.59 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.82 -56.68 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.24 -48.75 6.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.48 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.59 -42.32 87.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.64 -41.75 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -116.97 97.64 50.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.715 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -38.71 7.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -57.03 -33.69 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.506 HG13 ' CE1' ' A' ' 72' ' ' PHE . 53.9 t -77.48 152.95 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -124.99 113.61 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.506 ' CE1' HG13 ' A' ' 70' ' ' VAL . 3.8 m-85 -97.39 132.87 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.74 127.38 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -106.08 127.35 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 76' ' ' GLU . 4.7 tt -117.17 132.7 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 26.8 tt0 -76.23 104.45 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.95 -49.65 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.43 -26.67 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.92 33.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG22 ' CA ' ' A' ' 25' ' ' SER . 80.9 t -113.5 82.85 6.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -19.68 36.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.38 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -63.85 -48.18 77.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 86' ' ' LYS . 86.5 t -73.95 -60.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' GLU . 13.6 m -37.37 -43.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.41 -46.35 80.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 87' ' ' TYR . 21.2 ttpt -48.92 -44.39 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.554 ' CE1' ' HE3' ' A' ' 86' ' ' LYS . 8.0 m-85 -96.77 -10.75 26.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' SER . 41.7 mt-10 63.31 46.14 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.572 HG23 ' CD2' ' A' ' 45' ' ' PHE . 23.6 mm -84.31 84.28 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -101.13 39.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -159.23 141.43 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.533 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 27.1 m -145.11 151.36 48.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.78 165.23 77.23 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 -1.822 . . . . 0.0 112.349 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -160.71 113.66 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 26.6 m-85 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 19.9 mt -128.8 106.08 8.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.26 120.79 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 72.8 m-85 -121.59 117.24 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -112.46 126.68 55.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 m120 52.24 38.25 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t 67.25 35.78 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -152.64 118.49 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.21 135.09 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 105' ' ' ASP . 7.4 pt -123.34 -25.96 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' N ' HG13 ' A' ' 104' ' ' ILE . 7.4 t70 -152.15 173.37 15.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -161.77 137.15 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.9 tt -107.84 113.07 26.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.54 129.76 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.28 150.36 23.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.465 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -69.66 126.93 31.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 98.4 m-70 -153.33 117.05 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.508 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -71.7 -58.58 3.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.082 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.76 -42.36 3.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.28 -39.11 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 33.5 tp -58.8 -54.03 51.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 88.8 m -55.08 -51.76 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -44.42 -60.09 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -58.2 -46.07 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.4 t -52.18 -62.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -55.21 -54.62 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -47.87 -55.93 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -66.14 -25.71 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -73.58 146.18 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.87 128.62 44.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -113.45 114.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.42 32.68 4.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 80' ' ' VAL . 3.6 p -166.63 134.56 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.57 82.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.37 -36.57 77.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.439 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.59 -49.19 69.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.495 ' CE1' HG23 ' A' ' 43' ' ' VAL . 28.8 t80 -61.67 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.44 -34.16 66.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.25 -47.3 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' ARG . 7.1 tp -59.45 -46.13 89.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . 24.3 mt -36.73 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' LEU . 31.8 mtp180 -79.68 -47.14 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 18.1 mt -61.49 -56.56 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -91.01 39.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.93 -66.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -53.57 -38.63 64.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -77.08 163.01 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 tp -82.77 127.0 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 tp -110.81 147.24 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -134.81 109.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.495 HG23 ' CE1' ' A' ' 29' ' ' PHE . 99.5 t -94.85 102.88 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -92.85 119.76 32.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.2 m-85 -81.41 121.3 26.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.414 ' CE2' ' HG3' ' A' ' 76' ' ' GLU . 21.9 p-90 -124.73 128.86 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.84 142.8 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -7.16 20.39 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -103.38 -32.56 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.79 109.2 28.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.699 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -20.75 34.09 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 110' ' ' ALA . 13.8 tp60 -55.06 -26.18 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.4 p -59.52 -17.23 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -68.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.92 -38.93 70.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.8 mmt -59.34 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -74.84 -41.38 59.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.56 -44.44 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.01 -39.89 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.6 mtm -69.41 -49.49 54.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.04 -52.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.05 -53.78 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.7 mt -43.61 -59.76 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.88 -44.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -64.61 -46.56 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -63.08 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -120.71 90.7 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.04 36.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -84.13 7.86 17.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 71' ' ' SER . 73.7 t -112.67 157.98 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.448 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 3.3 m -126.78 105.37 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -93.68 115.35 27.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.18 128.41 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -104.7 131.12 52.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tt -124.14 151.0 44.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 tt0 -96.68 120.78 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.19 92.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -78.58 -27.1 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.15 -33.37 40.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 25' ' ' SER . 19.5 t -134.29 81.03 50.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.45 25.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -45.29 -54.85 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.54 -46.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . 11.9 m -53.6 -34.11 57.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -66.02 -59.92 3.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 12.0 tttm -43.71 -57.39 3.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 96.8 m-85 -80.3 -14.72 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 84' ' ' SER . 13.6 mt-10 63.01 42.8 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.563 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 15.6 mm -77.79 85.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -103.56 41.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.1 p -158.26 136.0 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.536 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 29.1 m -144.52 151.28 50.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.1 Cg_endo -69.71 159.98 88.63 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.361 -0.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.3 m -158.16 121.45 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.509 ' CE2' HD22 ' A' ' 115' ' ' LEU . 52.0 m-85 -98.66 152.61 19.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.6 mt -139.2 106.79 5.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 79.9 m-85 -80.24 111.83 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -110.58 119.27 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -112.09 126.38 55.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 49.89 34.42 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 72.16 32.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -147.41 113.51 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.02 131.41 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.9 pt -119.43 -32.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.448 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.3 t0 -152.88 147.87 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 6.9 ttm180 -131.5 143.66 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 3.3 tt -122.45 109.77 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -104.81 125.59 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 111' ' ' HIS . . . 106.11 123.84 5.21 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.462 ' HB1' ' CG ' ' A' ' 93' ' ' PRO . . . -50.61 106.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 88.3 m-70 -135.12 119.72 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.486 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.08 -59.89 4.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.73 -47.98 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 5.8 tp10 -49.64 -36.07 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.509 HD22 ' CE2' ' A' ' 95' ' ' PHE . 48.2 tp -66.17 -59.31 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.5 m -50.05 -44.97 51.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -52.74 -59.94 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 32.1 mttm -56.08 -41.24 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.51 -62.68 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.27 -54.83 18.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -50.07 -56.71 9.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 45.3 m-70 -68.56 -8.18 39.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.801 0.334 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.06 158.04 35.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.27 131.0 56.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.4 t -83.36 123.52 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.3 -34.09 13.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 p -163.55 173.51 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -48.21 -59.67 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.14 -57.01 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.75 -59.81 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -55.03 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.5 -40.34 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.37 -58.74 5.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.2 tp -47.53 -49.54 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.6 mt -34.25 -50.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -57.07 -62.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.55 -53.57 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -89.92 42.36 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.77 -54.59 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.5 -43.88 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -72.53 179.53 3.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -99.0 132.71 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -112.46 143.11 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.1 105.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.4 t -100.09 105.94 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 6.8 t-80 -94.78 139.55 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.7 m-85 -99.32 103.0 14.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -108.2 136.17 48.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 49' ' ' TRP . . . -113.01 139.03 22.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.2 3.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CE2' ' HB1' ' A' ' 47' ' ' ALA . 22.2 p-90 -117.93 -53.04 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.491 ' N ' ' CE3' ' A' ' 49' ' ' TRP . . . -53.06 119.92 18.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -3.44 12.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ALA . 62.5 mt-30 -73.92 -61.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 28.6 p -35.96 -31.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -39.45 -70.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -66.08 -52.97 43.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.464 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 24.1 mmm -40.58 -33.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.42 -67.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 7.1 pt-20 -47.74 -36.08 10.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 90.6 t -60.17 -39.91 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.9 mtp -66.07 -59.77 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.67 -40.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.13 -37.74 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 60' ' ' MET . 36.7 mt -70.26 -49.89 45.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.8 19.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 18.4 ptpt -65.37 -47.69 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.3 tp10 -54.0 -46.38 71.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.03 94.26 47.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.15 26.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.72 -33.77 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.97 153.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.2 m -116.36 101.63 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -91.23 126.81 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.16 122.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -98.39 131.68 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -127.29 124.34 38.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.419 ' C ' HD21 ' A' ' 75' ' ' LEU . 19.4 tt0 -70.36 122.89 20.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.39 74.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -84.67 -27.34 27.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.03 -52.6 8.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -112.05 79.4 2.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -40.92 4.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.224 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -40.07 -50.95 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.38 -57.82 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLU . 12.9 m -40.83 -42.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.44 -57.09 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -41.79 -61.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.13 -14.33 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' SER . 43.5 mt-10 65.55 41.76 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.557 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 23.7 mm -77.89 90.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -107.22 39.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.3 p -157.36 135.98 11.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.539 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 20.1 m -145.62 150.46 43.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.608 0.718 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.7 Cg_endo -69.77 162.51 84.02 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.322 -0.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 m -161.41 126.91 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 115' ' ' LEU . 27.5 m-85 -106.79 144.23 33.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.466 HD21 ' CG ' ' A' ' 106' ' ' ARG . 85.3 mt -130.4 107.99 9.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -82.34 116.63 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.61 125.22 53.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -123.13 115.75 22.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 62.44 37.31 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 66.94 36.51 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -151.36 125.03 9.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -66.64 117.09 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.8 pt -105.29 -27.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -156.36 156.95 34.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' CG ' HD21 ' A' ' 96' ' ' LEU . 4.1 tmm_? -146.69 147.68 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -102.37 129.33 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.06 158.18 25.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.468 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . . . -81.37 94.06 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.5 m-70 -122.07 113.26 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.49 -58.27 7.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.646 0.736 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.76 -49.58 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 26.9 tt0 -46.13 -45.55 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 95' ' ' PHE . 47.7 tp -56.9 -65.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 m -38.51 -51.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -48.05 -62.1 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.417 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 25.2 mttp -54.29 -42.17 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.6 t -55.49 -54.04 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.01 -51.95 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -51.59 -61.99 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 39.9 m-70 -57.62 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.66 157.94 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.86 116.63 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.1 t -107.83 107.87 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.09 37.48 3.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.43 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.8 p -173.41 155.26 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.83 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.16 -41.73 96.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -60.88 -53.89 51.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.0 t80 -61.35 -62.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -47.46 -39.64 16.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.68 -53.76 46.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 tp -49.54 -51.86 33.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 32' ' ' LEU . 11.4 mt -34.28 -40.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -70.68 -60.82 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.76 -53.32 49.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -90.19 42.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.29 -47.6 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -57.26 -49.34 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -78.24 174.72 10.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 tp -89.51 126.08 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -105.84 149.02 26.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -138.27 110.79 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.555 HG22 ' CE1' ' A' ' 29' ' ' PHE . 96.0 t -99.7 99.63 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 4.8 t-80 -88.53 132.05 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 11.8 m-85 -90.36 103.04 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.557 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.6 p-90 -98.93 136.04 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' A' ' 92' ' ' VAL . . . -122.46 144.07 41.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.87 6.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -71.63 -51.54 22.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.68 112.31 10.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.71 . . . . 0.0 111.158 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.56 28.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' CYS . 18.4 mp0 -62.03 -48.02 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 25.4 p -36.0 -37.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HA ' ' OD1' ' A' ' 57' ' ' ASN . . . -52.7 -70.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' ALA . 5.1 mm-40 -37.3 -44.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.454 ' N ' ' HE3' ' A' ' 56' ' ' MET . 11.1 mmt -64.99 -58.65 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.511 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -40.27 -38.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.83 -53.32 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.86 -43.17 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.79 -55.34 35.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.8 -51.33 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 21.0 mt -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.14 -59.35 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -67.05 -48.7 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -47.28 -47.31 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 29.9 mt -114.35 93.23 30.72 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.74 -15.61 37.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -96.12 24.96 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG12 ' CE2' ' A' ' 72' ' ' PHE . 93.3 t -131.46 139.31 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.6 m -104.76 105.32 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 63' ' ' LEU . 94.8 m-85 -95.6 120.27 35.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.26 130.23 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -108.26 129.73 55.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 76' ' ' GLU . 9.8 tt -116.65 141.13 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 37.7 tt0 -88.67 100.48 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.94 -43.5 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -77.36 -24.64 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -76.52 -41.07 25.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.8 t -127.26 82.94 67.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.79 37.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.18 -53.67 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.92 -43.64 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.0 m -52.67 -39.64 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.09 -57.02 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -42.83 -61.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -75.97 -12.66 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 62.67 43.67 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.564 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 24.4 mm -79.38 92.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -109.08 39.6 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.9 p -161.58 141.67 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 27.0 m -145.16 151.17 47.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.75 165.14 77.38 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.331 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 m -156.53 119.27 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 44' ' ' HIS . 76.7 m-85 -101.66 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 31.1 mt -122.01 105.26 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -78.98 119.67 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -116.99 113.4 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -110.14 112.94 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.06 41.76 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m 62.71 37.21 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -154.25 112.76 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -55.45 127.39 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 105' ' ' ASP . 38.1 pt -119.91 -34.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.469 ' N ' HG13 ' A' ' 104' ' ' ILE . 9.9 t70 -136.98 169.34 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -163.04 143.56 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.6 tt -126.3 121.15 31.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -108.12 138.7 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.21 148.32 23.89 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.62 99.85 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 80.2 m-70 -127.91 117.24 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -70.67 -59.27 3.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.461 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -51.98 -43.89 63.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 95' ' ' PHE . 53.5 tp -54.98 -58.26 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' LYS . 90.0 m -48.93 -60.33 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' THR . 49.8 mttm -34.6 -67.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -52.28 -49.28 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.5 t -51.05 -63.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -49.55 -57.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -46.49 -60.39 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.428 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 63.9 m-70 -63.33 -23.52 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -173.62 106.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.356 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -148.04 162.24 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -130.97 85.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.531 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 20.6 t -37.13 -44.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.831 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t 54.91 42.15 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.29 -119.75 4.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.1 mtt -157.94 139.44 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.27 162.63 20.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.38 118.39 27.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.66 59.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.66 144.77 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.66 176.69 8.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -153.11 130.15 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.7 172.36 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.04 119.91 32.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.25 134.52 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.28 42.4 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.0 152.87 30.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.09 122.38 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.81 147.16 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -105.53 110.64 23.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.5 t -95.79 118.39 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.34 23.3 7.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.7 p -165.99 148.64 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.69 71.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.11 -51.83 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.495 ' CE1' HG22 ' A' ' 43' ' ' VAL . 21.0 t80 -63.14 -61.35 2.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -50.25 -31.7 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.88 -53.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 33' ' ' LEU . 7.6 tp -52.9 -42.57 65.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt -35.47 -50.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -66.86 -56.55 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.21 -61.8 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -84.33 40.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.75 -49.67 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.104 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.92 -47.28 85.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.2 p -74.04 -178.47 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD21 ' N ' ' A' ' 123' ' ' ALA . 40.3 tp -99.77 114.96 28.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -94.74 134.55 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -122.95 107.46 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.495 HG22 ' CE1' ' A' ' 29' ' ' PHE . 99.0 t -96.67 106.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -101.52 137.18 40.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 47.0 m-85 -95.81 107.34 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 76' ' ' GLU . 34.9 p-90 -106.75 146.81 30.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HB3' ' CD1' ' A' ' 49' ' ' TRP . . . -130.56 138.62 33.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.31 4.51 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.491 ' CD1' ' HB3' ' A' ' 47' ' ' ALA . 60.1 p-90 -116.15 -50.97 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 121.91 53.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.88 15.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -53.89 -46.76 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -54.62 -19.23 5.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.22 -67.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.47 -40.63 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.3 mmt -53.75 -31.78 49.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -74.32 -44.91 50.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.16 -43.6 95.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.3 -45.56 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' ALA . 50.4 mtp -52.31 -55.35 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.39 -56.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -55.63 -61.34 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.33 -58.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.26 -37.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -71.74 -47.54 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -60.66 -42.42 96.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 119' ' ' VAL . 42.1 mt -109.67 89.64 7.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.6 37.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 123' ' ' ALA . 4.9 pp0? -96.59 18.48 14.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 71' ' ' SER . 91.2 t -118.51 154.55 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.421 ' N ' HG12 ' A' ' 70' ' ' VAL . 44.9 m -119.78 115.28 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.52 110.71 22.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.3 m -122.36 127.96 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -106.37 131.14 53.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.55 146.73 44.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 12.9 mt-10 -85.87 112.92 21.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.88 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -79.72 -25.57 41.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.35 -39.78 87.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -125.43 81.15 64.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -5.74 16.92 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.33 -47.57 55.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.79 -45.35 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.2 m -52.32 -36.67 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.9 -56.17 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -46.54 -59.45 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -79.19 -10.42 59.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 84' ' ' SER . 36.8 mt-10 59.65 42.95 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 10.1 mm -81.45 93.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -115.57 41.32 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -159.63 142.1 13.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.525 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.5 m -143.55 154.1 59.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 111.086 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.78 164.61 78.84 Favored 'Cis proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.362 -0.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.6 m -157.91 123.87 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CD2' HD12 ' A' ' 115' ' ' LEU . 45.3 m-85 -110.98 139.11 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 28.7 mt -127.47 113.79 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -85.5 110.71 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 94.2 m-85 -109.12 116.47 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -119.84 119.96 35.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 63.3 37.3 11.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 p 61.78 36.3 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -152.94 110.62 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -51.6 126.81 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.0 pt -120.45 -21.37 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -150.44 164.83 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -162.42 134.21 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.3 tt -115.14 122.24 45.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -106.27 134.56 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.62 154.95 30.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 93' ' ' PRO . . . -77.76 98.86 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.4 m-70 -126.85 114.62 18.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.48 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.0 -59.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.0 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.46 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 1.6 tp10 -47.24 -36.78 9.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 18.8 tp -65.99 -61.15 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 m -44.44 -49.66 9.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -47.47 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 29.6 mttp -56.27 -48.09 77.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 67' ' ' LEU . 92.9 t -50.92 -57.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -59.24 -51.65 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -41.53 -62.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' ALA . 66.5 m-70 -68.24 -53.77 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.466 ' N ' HD21 ' A' ' 40' ' ' LEU . . . -34.89 -35.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 122' ' ' HIS . 28.1 t -38.21 -59.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.2 m -39.57 116.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.76 -158.08 26.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.77 33.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.389 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 60.2 p 45.92 39.3 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.8 m -44.62 134.77 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -124.87 126.17 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -159.2 134.61 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.79 47.63 2.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -46.85 108.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 m -111.86 106.78 15.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.07 40.34 1.49 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.6 mmm -107.29 85.74 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.75 152.55 46.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.71 91.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.19 97.01 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.26 95.41 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -165.49 123.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -127.69 169.38 13.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.28 160.4 28.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.08 105.63 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 p -122.7 159.08 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.0 137.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.21 149.52 42.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.87 124.31 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.5 141.1 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -95.81 109.71 21.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.6 t -89.95 122.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.57 29.01 3.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 p -163.82 132.35 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.441 ' N ' HG11 ' A' ' 80' ' ' VAL . . . -48.82 -53.55 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.38 -45.2 45.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -53.49 -48.91 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -65.97 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -50.32 -34.79 24.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.8 -45.23 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 33' ' ' LEU . 2.3 tp -60.08 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' LEU . 11.5 mt -35.43 -41.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -74.17 -56.04 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.48 -56.19 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -87.83 38.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -44.88 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -63.26 -43.99 96.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -85.59 152.85 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.36 122.35 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 tp -97.33 130.14 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -118.98 103.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 44' ' ' HIS . 70.0 t -81.35 152.84 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.406 ' N ' HG13 ' A' ' 43' ' ' VAL . 4.5 t-160 -142.83 121.43 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 23.8 m-85 -91.77 124.48 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -123.85 136.57 54.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . . . -114.08 141.43 26.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.06 6.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.478 ' CZ3' ' HB3' ' A' ' 50' ' ' ALA . 15.0 p-90 -117.31 -40.78 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . . . -73.66 123.76 89.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -41.4 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' CYS . 55.2 mt-30 -37.09 -41.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 54' ' ' ALA . 12.2 p -36.09 -46.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' N ' ' SG ' ' A' ' 53' ' ' CYS . . . -62.98 -64.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.697 ' H ' ' NE2' ' A' ' 55' ' ' GLN . 2.3 mp0 -35.43 -38.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.2 -46.19 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ALA . 10.6 t30 -45.15 -52.02 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.71 -60.03 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -48.62 -40.04 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.2 mtp -56.44 -63.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.96 -54.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -51.58 -43.96 62.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . 33.7 mt -67.59 -52.66 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.7 -61.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -64.74 -41.32 96.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.86 -32.74 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -134.71 92.68 19.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -20.74 34.71 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -74.35 -9.76 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.38 141.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -109.24 113.78 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 61.2 m-85 -95.2 119.11 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 m -125.51 131.15 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 tt -128.35 138.16 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -87.99 115.54 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.24 -54.45 21.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -66.01 -19.79 65.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.45 -55.24 4.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 26' ' ' ALA . 14.5 t -112.87 78.6 2.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -5.53 16.41 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.0 t -93.52 -30.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' GLU . 19.5 m -60.88 -31.97 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 86' ' ' LYS . 11.4 pt-20 -70.27 -51.07 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 1.1 tmtp? -45.98 -52.05 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -90.49 -13.56 34.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 84' ' ' SER . 54.0 mt-10 66.79 40.7 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.539 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 13.6 mm -74.45 92.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -113.95 42.56 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 p -164.94 140.84 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.535 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 33.6 m -144.02 150.62 49.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.74 164.86 78.09 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.38 -0.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.7 m -154.18 132.5 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CE2' HD23 ' A' ' 115' ' ' LEU . 47.3 m-85 -113.72 135.35 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.517 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 26.2 mt -127.46 105.7 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 78.9 m-85 -79.33 125.05 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 80.6 m-85 -126.72 112.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -111.04 106.11 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.04 41.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m 61.72 43.9 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -156.15 119.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -64.03 129.95 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.466 HG13 ' N ' ' A' ' 105' ' ' ASP . 15.5 pt -126.36 -31.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.533 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 16.3 t70 -139.09 167.52 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -163.01 138.77 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -125.13 111.57 15.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -99.13 140.6 33.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.64 167.93 38.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.32 103.43 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 111.081 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 93.2 m-70 -131.86 117.05 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.484 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -67.58 -60.01 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.72 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 28.0 tt0 -45.29 -36.66 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.566 HD23 ' CE2' ' A' ' 95' ' ' PHE . 26.3 tp -67.69 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.9 m -43.23 -45.19 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -49.94 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -53.59 -51.97 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 91.9 t -47.5 -55.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -54.75 -56.25 21.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.61 -62.84 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -55.6 -37.43 68.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -39.11 -39.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.5 m -45.51 105.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 m -135.1 155.48 50.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.7 157.17 41.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.13 27.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.4 m -78.94 -58.47 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.8 m -110.83 94.7 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -98.43 111.34 23.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -77.32 171.38 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.88 116.05 0.75 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 m -120.14 169.63 10.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 t -88.71 131.52 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 147.29 19.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 mmt -110.98 92.93 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.63 -63.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.91 130.12 19.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.57 -78.74 0.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.04 109.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.87 92.57 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -159.52 135.4 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.79 156.11 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.49 125.77 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.36 132.24 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.07 40.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.11 146.26 48.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.1 t -74.71 121.75 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.45 144.59 48.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -98.91 111.81 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -98.94 118.05 44.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.48 34.99 3.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 p -168.69 135.63 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -48.5 73.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.51 -41.02 63.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.82 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.29 -57.47 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.68 -37.17 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.36 -51.9 46.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.7 tp -52.56 -47.19 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.6 mt -34.34 -44.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.89 -43.55 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.2 mp -60.58 -61.76 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -87.79 38.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.45 -52.04 13.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -48.71 -43.4 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -88.27 171.53 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 123' ' ' ALA . 21.6 tp -84.48 123.44 30.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 tp -100.1 141.27 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.79 102.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -83.68 118.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -108.27 117.31 33.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.575 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 10.9 m-85 -76.88 120.55 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.453 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 25.2 p-90 -124.3 129.92 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -121.18 139.45 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.528 0.68 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.09 6.39 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.8 p-90 -117.5 5.78 12.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.56 113.63 38.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.2 18.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' ALA . 5.1 mp0 -72.84 -44.61 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -38.45 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -64.03 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -46.45 -52.67 12.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 11.2 mmt -63.69 -46.32 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -43.71 -60.48 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.1 -52.49 63.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 60.0 t -49.72 -44.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.5 mtp -59.0 -60.81 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.96 -54.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.68 -34.39 62.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' MET . 84.5 mt -74.69 -49.03 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -38.99 -54.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -53.8 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -43.36 -49.06 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.9 mt -110.98 92.74 15.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -15.49 37.0 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -93.37 18.39 9.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.2 t -125.2 155.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 t -122.95 117.98 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.408 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.5 m-85 -106.32 114.03 27.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.1 m -123.07 130.74 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HE3' ' CD1' ' A' ' 46' ' ' TRP . 7.6 ptmt -109.32 133.93 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 75' ' ' LEU . 4.5 tt -122.93 145.36 48.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.78 108.59 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.69 -55.84 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.64 -27.32 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.23 61.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -130.54 83.02 63.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.78 37.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.15 -50.82 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.4 -45.46 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 14.3 m -55.84 -41.02 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.5 -59.3 5.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -44.18 -59.01 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.63 -14.57 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 84' ' ' SER . 45.0 mt-10 64.7 37.04 7.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.575 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 5.3 mm -69.84 94.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -114.29 43.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 p -166.56 124.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.531 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.7 m -127.0 154.15 76.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.717 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.72 165.05 77.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.36 -0.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.532 ' HB ' ' CD1' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -131.88 156.09 46.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' CE1' HD12 ' A' ' 115' ' ' LEU . 84.2 m-85 -141.04 110.19 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 84.5 mt -114.72 104.5 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -82.22 112.16 18.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -108.66 123.24 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -109.57 94.31 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.21 40.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 t 72.05 28.34 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -142.36 111.16 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -59.3 127.77 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 105' ' ' ASP . 47.3 pt -119.45 -37.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.492 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 14.6 t0 -137.21 170.27 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -162.16 145.03 11.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.465 ' CD1' ' HD2' ' A' ' 118' ' ' LYS . 2.2 tt -126.64 113.7 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 22.7 t0 -98.42 124.56 43.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.74 154.71 13.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.12 82.44 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 91.2 m-70 -108.35 118.02 35.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.505 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -67.58 -58.49 8.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.554 0.692 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.71 -49.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.1 tt0 -50.61 -42.26 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.569 HD12 ' CE1' ' A' ' 95' ' ' PHE . 52.2 tp -55.87 -61.29 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 77.5 m -48.42 -47.37 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -49.29 -53.46 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.465 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 49.2 mttm -65.28 -45.55 84.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.0 t -53.17 -59.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -57.99 -51.93 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -44.03 -59.11 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.492 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 57.8 m-70 -64.9 -53.21 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . -34.19 -41.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 123' ' ' ALA . 3.0 m -34.81 138.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.4 m -74.53 175.29 7.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.68 -157.98 22.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 145.53 57.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 53.4 m -75.73 -51.73 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 65.7 p -117.6 174.64 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t 57.62 41.94 24.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t 70.27 42.62 0.92 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.52 111.97 3.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p -173.16 134.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -160.14 137.37 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.98 118.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mtt -142.88 144.2 32.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.54 109.19 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.95 132.9 45.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.62 -135.99 12.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.29 42.83 14.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.76 90.71 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -158.71 116.83 2.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.16 162.75 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.41 141.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.3 t -99.85 122.46 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.46 45.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.96 152.33 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.8 t -76.72 115.63 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -74.4 150.65 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 105.31 15.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -91.81 118.67 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.7 27.56 5.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 80' ' ' VAL . 83.4 p -165.58 147.68 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -30.27 71.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.23 -34.56 75.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -69.62 -38.43 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -77.48 -52.63 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -52.3 -39.86 61.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 10.1 pt-20 -73.84 -43.74 57.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 4.0 tp -63.25 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 10.5 mt -63.75 -27.97 69.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -81.08 -46.91 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -67.92 -53.64 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -85.93 35.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.98 -48.93 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 39' ' ' SER . 20.5 pttt -58.83 -32.36 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 50.2 m -92.37 165.36 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.4 tp -78.41 107.07 10.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 tp -94.13 130.32 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.93 102.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -83.45 105.42 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CG ' ' SD ' ' A' ' 60' ' ' MET . 12.9 t-80 -97.8 129.86 44.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 14.1 m-85 -87.35 128.1 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.484 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 17.8 p-90 -126.55 137.02 53.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HB2' ' NE1' ' A' ' 49' ' ' TRP . . . -129.93 147.91 67.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.69 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.27 29.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.42 ' CH2' ' CG2' ' A' ' 92' ' ' VAL . 14.4 p-90 -88.28 -53.24 4.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' CZ3' ' A' ' 49' ' ' TRP . . . -58.15 112.63 5.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -45.55 -51.73 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.9 m -43.99 -30.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.94 -51.12 62.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -65.08 -57.63 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 56' ' ' MET . 16.1 mmt -39.89 -35.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -56.94 -65.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.56 -37.25 57.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.06 -35.93 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.501 ' SD ' ' CG ' ' A' ' 44' ' ' HIS . 83.8 mtp -72.27 -50.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.82 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -52.16 -32.78 37.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.6 mt -75.49 -36.97 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.474 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -49.71 -57.92 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.4 -42.25 31.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.63 90.13 25.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -16.62 37.85 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.683 2.255 . . . . 0.0 112.315 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -93.23 19.03 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.416 HG12 ' CE2' ' A' ' 72' ' ' PHE . 96.0 t -130.49 138.81 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.9 m -104.46 115.67 30.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.474 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -103.22 112.96 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.451 HG12 ' CD2' ' A' ' 32' ' ' LEU . 23.1 m -123.6 131.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.484 ' HE3' ' CD1' ' A' ' 46' ' ' TRP . 10.5 ptmt -114.17 137.75 51.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.419 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.1 tt -125.16 146.75 49.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 79' ' ' GLY . 37.9 tt0 -88.25 104.13 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.87 -37.89 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -82.01 -23.94 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -78.93 -41.56 14.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.45 HG22 ' N ' ' A' ' 25' ' ' SER . 44.6 t -121.09 82.11 36.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -22.33 32.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.76 -54.79 43.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.96 -46.94 90.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . 37.7 m -52.62 -40.3 62.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.38 -59.34 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -43.31 -60.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -76.03 -13.17 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 39.9 mt-10 63.31 37.3 11.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.57 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 12.2 mm -70.5 98.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 t -120.55 39.51 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -162.66 129.09 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.518 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 2.7 m -129.58 154.56 80.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.77 165.06 77.65 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.732 -1.779 . . . . 0.0 112.328 0.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.451 ' HB ' ' CD1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -133.41 153.78 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.56 ' CE1' HD13 ' A' ' 115' ' ' LEU . 80.3 m-85 -140.96 110.05 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -113.4 104.95 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.07 103.16 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -97.07 119.51 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.6 tptt -120.08 98.59 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 72.18 47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 m 60.12 32.9 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.25 125.43 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -69.46 121.84 17.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 28.7 pt -116.82 -28.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.598 ' CG ' ' CE1' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -142.42 160.75 39.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -161.59 133.2 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.6 tt -117.77 110.49 17.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -95.62 125.59 40.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.46 150.08 12.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.09 87.3 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 96.7 m-70 -115.21 111.24 20.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.491 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -65.16 -59.5 9.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.78 -49.76 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.342 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 4.4 tp10 -50.29 -35.0 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.56 HD13 ' CE1' ' A' ' 95' ' ' PHE . 51.3 tp -64.77 -61.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.1 m -45.16 -54.49 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -41.99 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -55.6 -55.42 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 65.3 t -45.8 -60.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -53.14 -56.45 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -42.78 -63.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.598 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 45.5 m-70 -57.28 -54.43 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . -34.14 -34.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 122' ' ' HIS . 10.1 t 58.03 54.75 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.0 t -90.16 -179.23 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -112.35 94.05 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 128' ' ' SER . 54.2 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 127' ' ' PRO . 3.2 m -35.44 119.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.0 t -88.47 92.14 9.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t -93.53 101.89 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.867 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -55.81 -50.19 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.1 -131.73 2.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -97.35 140.88 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.868 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -51.15 -62.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.59 -151.47 15.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 ttt -166.57 105.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.2 166.96 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.37 135.99 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.6 -156.93 10.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.82 150.45 46.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.13 97.06 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -57.66 159.41 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.05 130.4 55.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.13 119.37 28.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.8 t -106.58 132.58 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.88 41.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.05 153.84 42.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 p -83.57 111.72 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -79.16 149.04 32.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.42 129.13 43.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 86.6 t -104.66 103.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.01 36.72 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.407 ' N ' HG21 ' A' ' 80' ' ' VAL . 59.4 p -174.3 139.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' HG12 ' A' ' 80' ' ' VAL . . . -59.38 -42.69 92.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.84 74.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.78 -51.66 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.26 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -44.2 -36.44 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -75.27 -55.28 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' A' ' 73' ' ' VAL . 2.4 tp -52.04 -26.69 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.5 mt -54.01 -43.33 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 10.8 ptt180 -79.8 -43.68 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.5 mt -56.15 -56.94 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -92.92 40.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -42.66 59.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.92 -47.77 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -83.29 169.31 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 123' ' ' ALA . 57.8 tp -81.79 124.88 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.3 tp -99.28 141.15 32.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -131.26 103.17 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -93.31 107.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 9.9 t-80 -100.28 125.21 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.525 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 14.1 m-85 -82.93 111.79 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -115.98 147.09 41.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB2' ' NE1' ' A' ' 49' ' ' TRP . . . -128.92 142.02 43.68 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.447 ' NE1' ' HB2' ' A' ' 47' ' ' ALA . 17.9 p-90 -119.1 -47.29 2.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 119.17 29.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.78 -30.42 22.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' NE2' ' HD2' ' A' ' 93' ' ' PRO . 23.4 mt-30 -46.12 -55.18 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -40.46 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -48.5 -69.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -61.94 -51.87 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' ASN . 18.1 mmt -44.78 -63.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' MET . 27.1 t30 -34.36 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.41 -55.77 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -46.11 -45.74 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.59 -63.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.97 -43.8 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.12 -40.32 97.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.3 mt -70.66 -42.94 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 72' ' ' PHE . . . -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -45.69 -40.58 9.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.62 94.62 42.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.25 37.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.12 16.14 11.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.98 137.51 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.0 t -101.08 116.15 32.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 90.2 m-85 -104.58 117.83 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.45 HG12 ' CD2' ' A' ' 32' ' ' LEU . 34.6 m -127.08 139.45 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.8 113.77 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.5 tt -106.65 140.03 40.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.16 -45.81 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.65 -26.32 50.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.19 -40.42 55.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 26' ' ' ALA . 83.0 t -128.57 82.14 69.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.35 37.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -57.34 -52.11 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.07 -45.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.8 m -49.11 -37.6 22.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.71 -58.71 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -41.17 -61.87 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.511 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 98.1 m-85 -80.03 -13.35 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 84' ' ' SER . 30.1 mt-10 63.44 45.88 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.525 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 29.6 mm -81.29 92.07 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.8 p -110.25 38.93 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.2 p -158.5 141.78 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.535 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 29.5 m -145.07 151.25 48.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.5 Cg_endo -69.77 164.91 78.04 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.378 -0.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.5 m -160.9 115.72 2.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CD2' HD13 ' A' ' 115' ' ' LEU . 53.5 m-85 -98.09 145.63 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.9 mt -134.15 108.78 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -79.0 125.91 30.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -123.2 123.23 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -122.24 100.31 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 74.85 39.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 t 66.99 34.1 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -147.31 126.03 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -68.42 119.81 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 22.9 pt -106.87 -29.71 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -145.93 173.08 12.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -157.84 142.91 16.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -130.03 117.64 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.46 ' N ' HD23 ' A' ' 107' ' ' LEU . 30.4 t70 -103.26 140.1 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.27 156.93 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.23 106.89 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.087 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.6 m-70 -128.27 115.42 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.18 -58.64 5.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.552 0.692 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.79 -45.88 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 9.6 tt0 -54.06 -47.21 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 95' ' ' PHE . 48.6 tp -57.55 -54.34 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.3 m -55.05 -51.32 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -47.08 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -57.69 -47.41 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 85.8 t -50.36 -54.76 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.97 -49.38 77.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -52.42 -62.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 123' ' ' ALA . 64.5 m-70 -59.62 -46.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' HD23 ' A' ' 40' ' ' LEU . . . -34.06 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 122' ' ' HIS . 27.2 t -72.65 94.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.5 p -92.28 153.95 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -108.62 163.55 12.71 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 136.69 33.59 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.8 m -79.75 -43.47 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.3 t -44.6 146.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -99.49 88.81 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -68.98 -56.97 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.13 109.88 1.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -170.21 117.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.899 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -83.4 48.6 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.5 155.65 31.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.7 tpp -119.57 -55.44 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.94 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.01 127.98 35.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.72 83.08 0.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 72.17 41.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.47 150.54 22.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -133.73 142.66 48.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.8 37.74 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.14 120.23 12.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.68 131.4 66.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.11 44.69 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.89 153.88 41.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.21 109.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.61 127.46 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.97 103.84 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -53.27 116.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.24 -36.44 55.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 p -160.91 172.27 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.12 -46.56 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 -45.91 48.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -59.51 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -68.18 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -42.74 -41.63 3.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.05 -53.78 34.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 tp -49.9 -44.75 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.7 mt -40.31 -43.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -73.28 -53.97 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 mt -53.99 -62.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -83.09 39.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.44 -47.02 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -58.86 -47.34 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -80.87 175.86 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' C ' ' A' ' 122' ' ' HIS . 26.2 tp -89.72 135.52 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 tp -112.71 141.49 46.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.77 104.65 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.8 t -94.57 98.43 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.3 t-160 -93.48 121.34 34.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 17.8 m-85 -80.44 110.62 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 35.8 p-90 -110.53 146.9 35.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -132.57 143.12 47.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.26 9.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.379 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.402 ' CD2' ' N ' ' A' ' 50' ' ' ALA . 69.7 p-90 -109.94 -45.2 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' N ' ' CD2' ' A' ' 49' ' ' TRP . . . -60.87 111.32 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -10.56 28.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.72 -50.1 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 11.8 t -38.98 -33.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.78 -70.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.78 -52.05 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.453 ' CG ' ' HB3' ' A' ' 110' ' ' ALA . 28.4 mmm -43.21 -26.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -74.21 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -28.19 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.1 t -65.73 -38.51 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 mtm -73.46 -39.97 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.89 -52.34 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.89 -40.75 85.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.36 -37.81 83.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.524 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.67 -57.16 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -44.56 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -51.8 -43.88 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -116.28 94.45 42.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.95 37.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -90.41 17.91 6.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 71' ' ' SER . 53.2 t -125.95 156.81 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 20.2 m -125.17 103.39 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.524 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 79.0 m-85 -92.31 115.36 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.3 124.45 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -103.5 123.49 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.8 tt -115.85 136.09 53.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 79' ' ' GLY . 0.9 OUTLIER -84.85 107.81 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.16 -52.08 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.06 -25.13 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OE1' ' A' ' 76' ' ' GLU . . . -74.3 -61.41 3.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.1 t -107.92 81.41 1.21 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.181 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.12 19.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -44.66 -40.35 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.27 -51.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 88' ' ' GLU . 50.0 m -44.96 -39.93 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -58.6 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.438 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 9.1 tttp -38.86 -62.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.438 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 88.3 m-85 -79.71 -14.21 58.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' SER . 57.5 mt-10 64.32 47.23 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.559 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.4 mm -82.63 93.14 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.2 p -108.81 39.26 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -158.01 139.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.541 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 32.7 m -145.15 151.03 47.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.78 164.07 80.25 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.298 -0.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.0 m -161.09 113.45 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 24.9 m-85 -93.72 142.38 27.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.8 mt -129.64 110.32 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -81.26 115.85 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -117.83 111.7 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -115.77 107.43 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 72.39 41.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.4 p 58.87 29.88 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -145.01 110.51 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -55.05 128.09 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 105' ' ' ASP . 40.0 pt -115.78 -34.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' N ' HG13 ' A' ' 104' ' ' ILE . 10.2 t70 -144.63 171.39 14.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 31.6 ttt180 -160.42 145.16 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -125.79 118.25 25.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -102.97 137.18 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.11 140.06 9.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.453 ' HB3' ' CG ' ' A' ' 56' ' ' MET . . . -66.14 97.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 70.8 m-70 -121.08 113.6 20.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.519 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -67.71 -58.2 8.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.68 -51.18 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.0 tp10 -49.58 -44.65 47.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 64.5 tp -53.37 -58.44 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 96.7 m -49.38 -44.2 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -47.4 -61.8 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -61.41 -43.99 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 123' ' ' ALA . 87.0 t -52.54 -43.84 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -66.34 -48.3 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -60.22 -59.11 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 123' ' ' ALA . 59.5 m-70 -63.43 -39.03 93.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 119' ' ' VAL . . . -34.11 -39.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 123' ' ' ALA . 84.8 p -36.55 110.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.5 p -55.06 -14.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.67 -157.61 7.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.59 8.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.0 p -109.65 154.08 23.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.8 p -82.34 86.03 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -173.46 130.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -162.01 169.9 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 148.03 4.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -139.02 160.88 38.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -130.34 150.04 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.31 84.16 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 mtt -128.46 133.22 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.06 120.79 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.32 131.42 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.69 71.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.34 40.28 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.79 120.46 38.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -127.77 122.48 32.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.3 119.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -149.91 136.83 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.8 138.54 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.48 37.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.42 153.98 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 21' ' ' GLU . 90.4 t -89.63 141.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' N ' HG12 ' A' ' 20' ' ' VAL . 4.5 mm-40 -92.44 146.35 23.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -98.03 106.07 18.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.3 t -89.58 99.55 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.46 37.07 4.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.0 p -173.67 144.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.92 89.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.77 -43.39 91.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -59.54 -50.69 72.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE1' HG23 ' A' ' 43' ' ' VAL . 16.8 t80 -66.26 -63.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -46.2 -39.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -70.74 -55.73 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.1 tp -51.12 -35.52 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 mt -46.45 -36.44 6.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 9.2 ptp180 -80.81 -43.17 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 58.5 mt -60.32 -57.1 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -91.77 39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.73 -58.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -45.17 -46.38 12.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -83.92 173.83 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.5 tp -86.36 133.42 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 tp -109.19 141.37 41.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t -128.17 105.81 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG23 ' CE1' ' A' ' 29' ' ' PHE . 88.0 t -95.85 102.39 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -93.77 132.45 38.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.554 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 9.2 m-85 -92.29 122.26 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.541 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.4 p-90 -124.21 132.94 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.46 147.5 37.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.02 3.88 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.465 ' CE3' ' N ' ' A' ' 50' ' ' ALA . 34.6 p-90 -119.79 -54.33 2.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.465 ' N ' ' CE3' ' A' ' 49' ' ' TRP . . . -50.24 107.64 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.513 0.673 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.95 3.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -75.82 -54.31 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.5 p -42.71 -24.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.0 -70.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -67.28 -52.23 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 27.0 mmm -42.3 -40.26 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -62.73 -46.87 86.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.21 -43.09 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.11 -43.84 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.3 mtp -58.21 -55.65 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.46 -50.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -64.83 -37.02 86.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' MET . 43.2 mt -66.2 -43.13 87.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.44 -53.67 21.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -66.67 -45.28 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -53.21 -46.31 69.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.8 mt -112.73 94.12 27.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -15.52 37.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -98.42 27.26 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 72.0 t -129.94 151.93 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.8 m -117.99 108.69 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.441 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 80.8 m-85 -100.33 125.41 46.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -137.25 128.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -108.8 126.92 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tt -121.1 141.97 50.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.541 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 10.2 tt0 -85.61 113.5 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.19 -46.59 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.09 -27.73 61.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.13 -48.0 34.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 82.0 t -116.47 85.59 16.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -27.47 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.719 2.28 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -53.38 -54.72 32.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.88 -46.62 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 m -53.42 -36.65 61.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.61 -56.27 13.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.424 ' HD3' ' CE2' ' A' ' 87' ' ' TYR . 20.5 tttm -45.57 -60.24 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 95.2 m-85 -77.73 -12.45 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 62.4 45.2 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.554 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.3 mm -79.27 87.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -104.68 39.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.7 p -161.54 142.0 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.533 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 31.3 m -145.14 151.36 48.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.75 165.1 77.47 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.379 -0.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.4 m -159.66 119.0 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.498 ' CD2' HD12 ' A' ' 115' ' ' LEU . 21.4 m-85 -100.11 145.18 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.1 mt -132.0 105.07 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 98.3 m-85 -79.0 126.18 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.13 130.4 53.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -123.47 103.98 8.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.0 41.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m 66.98 31.55 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -148.41 118.84 7.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.03 117.53 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.1 pt -104.71 -32.89 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 104' ' ' ILE . 6.8 t70 -141.79 172.7 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -162.27 143.1 10.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 3.5 tt -127.45 118.11 23.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.74 137.92 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.21 143.88 11.1 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.421 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -68.13 102.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 97.7 m-70 -125.47 113.67 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.504 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.52 -59.04 6.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.77 -46.71 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.8 tp10 -54.84 -42.55 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 95' ' ' PHE . 21.0 tp -58.21 -59.39 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.4 m -44.26 -43.29 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -52.68 -59.88 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.465 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 35.8 mttp -59.97 -44.0 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.12 -62.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -60.28 -45.47 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -53.6 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 123' ' ' ALA . 72.4 m-70 -60.85 -45.76 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -33.82 -40.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 t -49.95 113.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 t -122.59 78.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 60.13 140.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 107.39 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 34.6 m -96.49 86.13 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p -132.97 169.14 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 81.0 p 36.69 42.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 110.906 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -114.66 173.17 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.87 -88.85 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m 59.48 42.08 18.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 m -94.96 147.67 23.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.13 139.01 10.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ttm -54.58 -57.21 12.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.73 79.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.14 115.72 17.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.82 -58.83 0.9 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.81 119.24 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.74 157.44 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -51.28 120.56 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.23 94.97 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.47 118.52 35.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.7 t -98.21 118.75 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.69 54.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.56 153.75 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.2 t -74.98 124.82 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -87.25 127.71 35.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.22 115.2 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.3 t -101.84 90.36 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' C ' ' CG2' ' A' ' 80' ' ' VAL . . . -101.58 37.43 3.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.441 ' N ' HG21 ' A' ' 80' ' ' VAL . 42.0 p -173.52 139.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' N ' HG11 ' A' ' 80' ' ' VAL . . . -51.42 -56.07 15.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.18 -45.86 8.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -51.24 -54.78 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -66.02 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -44.37 -41.15 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.36 -55.0 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ARG . 5.3 tp -53.09 -50.28 64.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.8 mt -34.35 -34.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LEU . 73.1 mtt180 -79.25 -60.16 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -50.62 -50.5 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' CG ' ' HG ' ' A' ' 32' ' ' LEU . 31.9 mmtp -88.95 40.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.35 19.7 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -122.05 -49.44 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -88.24 163.5 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 123' ' ' ALA . 19.8 tp -68.21 111.78 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 tp -91.84 135.73 33.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -125.94 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -97.92 109.9 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.449 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 8.4 t-80 -98.6 134.08 42.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.3 m-85 -93.06 115.52 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.9 p-90 -114.8 139.82 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.465 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . . . -128.26 142.0 43.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.4 36.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CZ2' HG22 ' A' ' 92' ' ' VAL . 51.4 p-90 -91.7 -34.86 14.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.23 112.27 34.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -8.68 24.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' ALA . 72.7 mt-30 -69.21 -53.64 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -38.8 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -60.01 -69.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -37.73 55.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.1 mmt -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -56.12 -57.52 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 4.0 pt-20 -55.17 -31.79 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 79.3 t -68.38 -40.15 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.449 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 82.3 mtp -61.02 -58.94 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.05 -60.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.79 -40.34 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -35.45 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 -60.15 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -62.54 -48.65 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.9 -42.36 59.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.2 mt -114.35 90.72 21.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -21.69 33.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -89.52 21.12 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 69.8 t -130.45 154.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.4 t -120.15 116.83 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -102.58 114.4 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG13 ' CD2' ' A' ' 32' ' ' LEU . 28.7 m -128.53 123.6 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -99.79 130.67 46.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.419 HD21 ' C ' ' A' ' 76' ' ' GLU . 8.8 tt -112.69 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 79' ' ' GLY . 58.1 tt0 -82.92 103.35 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.03 -39.14 59.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -96.74 22.05 8.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.442 ' N ' ' HG2' ' A' ' 76' ' ' GLU . . . -123.94 -36.0 0.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.441 HG21 ' N ' ' A' ' 25' ' ' SER . 60.8 t -129.04 77.76 77.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -6.9 19.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.18 -32.29 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.02 -39.45 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 72.1 m -56.75 -32.07 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 86' ' ' LYS . 16.6 pt-20 -68.48 -47.85 66.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 39.5 tttp -52.82 -57.53 9.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -81.83 -11.43 58.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 62.25 44.64 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 28.7 mm -81.19 85.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -107.46 38.97 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -156.6 138.48 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.544 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 17.0 m -145.28 150.45 44.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.78 160.71 87.63 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 m -161.19 118.12 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CE2' HD22 ' A' ' 115' ' ' LEU . 27.4 m-85 -97.2 152.1 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 25.5 mt -135.08 105.5 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -82.75 119.23 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -115.44 137.24 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.433 ' CB ' HG21 ' A' ' 104' ' ' ILE . 1.2 tptm -125.54 93.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 70.8 49.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.4 m 62.72 36.53 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -150.95 112.59 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -59.05 116.27 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.5 pt -105.73 -34.19 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' N ' HG13 ' A' ' 104' ' ' ILE . 21.5 t70 -141.69 171.77 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.6 ttt180 -163.11 148.83 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.5 tt -133.81 122.21 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -109.11 135.52 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.55 166.01 26.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.58 88.38 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 82.0 m-70 -115.81 113.76 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.525 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.55 -57.9 6.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.73 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -48.64 -46.07 39.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 95' ' ' PHE . 35.2 tp -54.47 -55.0 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 -49.99 75.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -48.61 -54.19 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -61.71 -47.75 83.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 115' ' ' LEU . 59.2 t -52.16 -53.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -66.99 -39.55 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -49.31 -61.22 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 83.5 m-70 -67.62 -51.3 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.476 ' N ' HD23 ' A' ' 40' ' ' LEU . . . -47.74 -38.95 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.2 t -82.83 -54.79 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.0 m -144.63 129.23 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.49 -171.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.9 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 127' ' ' PRO . 10.0 p -35.89 138.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.9 m -107.88 102.61 11.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -92.74 83.74 4.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -173.54 141.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.31 161.95 14.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -142.09 169.87 16.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -157.55 120.67 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.95 -164.03 15.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -126.68 168.77 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.55 128.43 42.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.5 99.92 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.54 -69.22 1.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 47.27 38.76 7.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.59 117.94 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -46.93 117.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.15 126.8 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.01 158.69 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.9 t -93.21 139.62 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 65' ' ' LYS . . . -91.91 39.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.02 147.85 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 72' ' ' PHE . 7.5 p -77.15 130.99 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -95.7 156.75 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -108.21 140.26 41.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.88 117.58 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.6 21.7 10.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.7 p -163.39 138.78 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.78 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.05 -40.09 96.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.41 -52.31 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.354 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.38 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -50.22 -37.32 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -56.91 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 7.8 tp -50.97 -44.66 60.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 32' ' ' LEU . 19.1 mt -35.21 -40.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -77.02 -41.71 41.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . 36.2 mt -63.98 -55.85 19.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -95.52 39.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 100' ' ' ASN . . . -74.93 -46.89 32.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.9 p -80.31 174.76 11.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 123' ' ' ALA . 57.6 tp -92.03 119.07 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 tp -98.45 147.95 24.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.97 107.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' CG2' ' A' ' 73' ' ' VAL . 66.6 t -97.81 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -95.5 128.8 42.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CE1' HG13 ' A' ' 89' ' ' ILE . 17.7 m-85 -89.62 112.28 23.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -120.6 137.22 54.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HB3' ' NE1' ' A' ' 49' ' ' TRP . . . -130.66 142.57 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.5 14.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.673 2.248 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.418 ' NE1' ' HB3' ' A' ' 47' ' ' ALA . 48.0 p-90 -107.94 6.95 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.12 123.17 26.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -36.36 10.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.95 -48.15 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.4 m -52.99 -16.07 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.04 -64.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -62.34 -41.37 98.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 mmt -51.59 -45.87 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -59.1 -45.28 91.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -65.17 -48.16 74.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 69.5 t -48.9 -49.14 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 mtm -59.18 -41.43 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.84 -50.06 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.29 -47.26 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.04 -43.14 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.68 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 29.2 mttm -72.48 -42.72 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.35 -42.24 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.04 95.8 43.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.611 0.719 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -43.85 2.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -26.48 59.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.515 HG12 ' CE1' ' A' ' 72' ' ' PHE . 39.4 t -85.02 125.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 m -99.3 101.27 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.515 ' CE1' HG12 ' A' ' 70' ' ' VAL . 73.9 m-85 -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.427 ' CG2' HG22 ' A' ' 43' ' ' VAL . 27.1 m -117.3 124.33 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -106.03 123.99 48.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 75' ' ' LEU . 2.8 tt -121.66 144.28 48.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' C ' HD21 ' A' ' 75' ' ' LEU . 11.7 tt0 -91.25 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.35 -51.83 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.13 -27.62 64.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.37 -44.84 57.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 45.2 t -127.42 83.91 64.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -23.98 30.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -50.93 -54.21 26.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.77 -48.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.0 m -47.98 -40.0 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.93 -54.96 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -42.49 -62.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.26 -13.91 59.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' SER . 29.8 mt-10 65.95 43.8 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.542 HG13 ' CE1' ' A' ' 45' ' ' PHE . 31.3 mm -77.99 84.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -103.87 39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -160.08 140.63 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.536 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 23.1 m -144.99 151.61 49.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 111.061 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.3 Cg_endo -69.78 165.04 77.74 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.286 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.6 m -160.85 120.12 2.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.32 143.19 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.4 mt -133.48 111.09 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.12 127.03 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -124.44 118.08 25.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -118.22 119.34 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' ALA . 28.0 t30 59.55 32.22 21.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 102' ' ' GLN . 9.9 t 69.32 45.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 101' ' ' SER . 17.2 mt-30 -161.07 112.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -55.05 131.59 45.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 105' ' ' ASP . 9.2 pt -127.47 -28.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.8 t70 -137.95 165.06 27.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -160.15 139.8 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.0 tt -123.76 120.11 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.436 ' N ' HD21 ' A' ' 107' ' ' LEU . 1.8 m-20 -111.22 129.57 55.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.433 ' O ' ' CD2' ' A' ' 111' ' ' HIS . . . 103.55 127.0 5.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.9 102.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 92.4 m-70 -130.02 113.75 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.501 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.65 -58.39 5.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 54.0 Cg_endo -69.81 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 6.3 tp10 -48.9 -46.39 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 47.1 tp -53.4 -57.02 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.42 HG21 ' CD ' ' A' ' 120' ' ' GLN . 66.1 m -50.45 -57.03 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -42.06 -61.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.76 -53.44 55.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.0 t -46.57 -52.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.42 ' CD ' HG21 ' A' ' 116' ' ' THR . 58.7 mt-30 -63.38 -52.54 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -41.21 -51.11 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.432 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 89.2 m-70 -74.87 -49.28 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.454 ' N ' HD21 ' A' ' 40' ' ' LEU . . . -41.07 -42.68 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.056 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 123' ' ' ALA . 29.2 t -34.64 102.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.0 p -84.44 172.68 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -114.92 -168.51 15.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 1.27 4.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.9 p 49.37 47.0 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p -72.54 -175.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -91.81 176.19 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -118.64 176.28 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.36 154.2 25.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -146.9 149.21 32.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 m -159.25 111.75 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.26 99.54 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -147.88 111.89 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.0 118.36 36.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.4 -49.4 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.79 47.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.93 101.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.55 108.49 19.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 15' ' ' ALA . 1.4 pp20? -69.57 150.09 47.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' GLU . . . -36.91 108.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.72 120.2 14.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.6 t -86.42 125.92 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.17 46.51 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.55 150.44 45.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.88 128.26 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.34 142.35 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -99.65 109.46 21.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.1 t -97.7 108.94 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.68 34.79 5.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.491 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 84.3 p -171.34 146.77 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.94 95.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -63.24 -51.54 65.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.522 ' CE1' HG21 ' A' ' 43' ' ' VAL . 16.3 t80 -58.34 -62.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -48.11 -38.72 18.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' HG12 ' A' ' 73' ' ' VAL . 2.5 tp -45.43 -47.92 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.9 mt -42.15 -35.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -68.39 -56.39 8.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.44 -51.14 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt -89.2 36.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.15 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -76.68 -27.19 55.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 m -91.51 148.21 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 HD21 ' N ' ' A' ' 123' ' ' ALA . 37.7 tp -67.66 117.01 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 tp -98.34 144.18 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.7 t -136.93 105.43 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.522 HG21 ' CE1' ' A' ' 29' ' ' PHE . 94.2 t -90.94 111.57 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -97.64 128.41 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE1' HG13 ' A' ' 89' ' ' ILE . 24.5 m-85 -91.58 110.05 21.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -111.33 142.51 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.35 143.92 44.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -110.66 -60.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.465 ' CB ' HG23 ' A' ' 92' ' ' VAL . . . -44.6 107.68 0.65 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -82.69 -49.16 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 p -47.93 -19.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.05 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -58.74 -42.71 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.9 mmt -54.97 -29.31 56.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.87 -63.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -49.8 -39.45 38.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.7 t -59.63 -40.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.3 mtp -59.02 -62.18 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.75 -51.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.1 -39.67 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' MET . 77.3 mt -69.72 -42.78 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.08 -61.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -65.64 -44.42 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.39 -36.11 41.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.409 ' CD1' HG13 ' A' ' 119' ' ' VAL . 16.6 mt -125.41 92.85 46.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -15.48 36.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.317 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -95.37 20.19 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 71' ' ' SER . 95.7 t -126.15 156.4 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 70' ' ' VAL . 50.6 m -122.42 111.35 16.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -100.91 122.44 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.404 HG12 ' CD2' ' A' ' 32' ' ' LEU . 35.3 m -135.05 125.1 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.13 134.41 44.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 76' ' ' GLU . 6.2 tt -123.54 132.91 54.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLY . 31.9 tt0 -80.09 107.75 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.58 -42.5 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.68 -19.81 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -77.55 -55.39 4.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 25' ' ' SER . 69.6 t -114.01 82.04 6.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.02 28.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.6 -54.16 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.23 -45.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.0 m -44.89 -43.17 8.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.81 -59.93 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 7.2 tmtm? -39.07 -61.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.479 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 95.1 m-85 -79.59 -12.65 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 84' ' ' SER . 33.1 mt-10 63.9 41.52 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.56 HG13 ' CE1' ' A' ' 45' ' ' PHE . 38.6 mm -81.77 85.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -109.39 39.47 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.57 151.31 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 30.9 m -145.79 151.51 46.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.76 165.16 77.36 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.33 -0.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.444 ' CG2' HD13 ' A' ' 89' ' ' ILE . 61.3 m -160.83 122.18 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.565 ' CE2' HD12 ' A' ' 115' ' ' LEU . 30.8 m-85 -109.88 149.97 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 28.0 mt -137.53 106.24 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -80.41 126.27 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -122.09 124.65 44.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -119.29 102.29 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.0 t30 72.93 32.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t 74.34 34.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -148.39 121.84 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -64.28 128.94 37.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 29.7 pt -124.65 -24.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -146.42 168.24 21.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 12.2 ttt180 -162.89 145.86 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.9 tt -130.54 113.21 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.78 117.64 34.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.415 ' C ' ' HG2' ' A' ' 93' ' ' PRO . . . 123.08 151.91 8.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.73 84.33 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 98.7 m-70 -116.19 113.56 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.495 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -66.81 -59.16 8.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.83 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 13.9 tp10 -46.67 -39.08 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.565 HD12 ' CE2' ' A' ' 95' ' ' PHE . 31.2 tp -65.47 -57.27 8.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.9 m -47.99 -56.4 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -44.29 -57.26 3.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 50.2 mttm -56.78 -48.6 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 67' ' ' LEU . 64.1 t -53.7 -46.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -66.57 -51.54 55.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -47.01 -58.55 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 123' ' ' ALA . 79.1 m-70 -66.5 -44.38 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.468 ' N ' HD21 ' A' ' 40' ' ' LEU . . . -37.22 -40.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.6 m -42.83 104.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 p -99.55 113.4 25.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.68 -98.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 90.66 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.39 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.2 p -112.31 146.49 38.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.1 m -73.68 -46.84 43.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t 50.6 42.31 26.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -127.79 165.83 19.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.4 122.55 1.03 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -109.85 135.16 51.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -150.56 119.42 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.14 106.91 0.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.2 ttm -160.33 107.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.16 125.6 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.88 148.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.64 92.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.11 112.61 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.45 135.69 43.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -111.29 112.03 23.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.59 86.23 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.25 119.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.1 t -103.64 135.3 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.05 36.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.65 152.2 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 t -74.87 141.57 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -96.7 135.11 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -94.34 126.73 39.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.5 t -92.73 129.59 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.16 -21.11 18.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.4 p -166.41 164.01 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.11 -25.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.87 -51.89 56.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.67 -47.27 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.494 ' CE1' ' CG2' ' A' ' 43' ' ' VAL . 37.5 t80 -66.34 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.55 -25.65 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -48.66 9.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' CD2' HG13 ' A' ' 73' ' ' VAL . 1.5 tp -61.37 -16.7 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -80.89 -39.79 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.38 -52.38 65.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -96.11 26.45 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.46 69.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -78.36 158.83 28.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD21 ' N ' ' A' ' 123' ' ' ALA . 26.5 tp -79.1 115.55 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.3 tp -95.85 141.27 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -132.14 104.22 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.494 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 24.7 t -85.98 128.06 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 3.6 t-80 -118.85 126.08 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 33.7 m-85 -89.72 116.68 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 35.3 p-90 -124.44 139.88 53.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB2' ' NE1' ' A' ' 49' ' ' TRP . . . -123.12 143.03 39.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -6.21 18.03 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.455 ' NE1' ' HB2' ' A' ' 47' ' ' ALA . 46.4 p-90 -105.87 -40.63 5.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.99 114.98 33.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -6.39 18.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.61 -61.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.7 p -38.15 -33.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -70.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' O ' ' NE2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -53.31 -31.6 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.454 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 47.0 mmm -72.29 -34.31 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -59.76 -46.89 87.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.12 -57.19 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.37 -47.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' LEU . 42.0 mtp -49.83 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -35.1 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.47 -45.62 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' MET . 33.5 mt -64.85 -44.87 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.03 -54.9 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -42.2 81.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LEU . 25.1 mt -132.61 88.97 37.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.552 0.692 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.39 7.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -5.85 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 83.9 t -104.64 145.48 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -114.62 106.53 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 60.8 m-85 -94.37 131.78 39.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.425 HG13 ' CD2' ' A' ' 32' ' ' LEU . 23.9 m -141.38 131.86 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 153.64 20.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.427 HD22 ' C ' ' A' ' 75' ' ' LEU . 7.9 tt -143.08 130.77 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.69 108.02 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.64 -40.32 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.95 -18.9 52.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.3 -60.58 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.45 81.85 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.135 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -25.48 28.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -51.29 -42.68 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 68.9 t -78.79 -54.93 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.7 m -44.96 -43.41 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.8 mt-10 -55.85 -59.69 4.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -36.87 -63.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 59.6 m-85 -78.48 -10.17 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLU . 21.8 mt-10 62.28 42.9 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.56 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 4.9 mm -77.47 84.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -102.83 40.28 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 m -157.76 136.89 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.531 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 6.0 m -144.95 153.36 53.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.6 Cg_endo -69.75 160.53 87.85 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.354 -0.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -159.85 133.46 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.552 ' CD2' HD13 ' A' ' 115' ' ' LEU . 39.0 m-85 -110.94 155.46 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.47 HD21 ' CG ' ' A' ' 106' ' ' ARG . 30.6 mt -146.57 107.45 4.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -81.11 123.5 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 72.3 m-85 -116.06 111.68 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -107.0 110.94 23.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.08 40.56 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.3 m 63.38 36.31 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -150.09 114.35 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -56.82 124.49 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.3 pt -117.82 -29.87 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.436 ' OD2' ' NE2' ' A' ' 122' ' ' HIS . 13.1 t0 -149.44 155.87 41.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' CG ' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.26 141.9 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.3 tt -115.44 127.59 55.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.407 ' N ' HD23 ' A' ' 107' ' ' LEU . 41.9 t0 -108.8 134.65 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.23 143.09 9.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.31 107.72 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.435 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 94.8 m-70 -134.06 119.87 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.481 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.31 -60.02 5.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.697 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.435 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.0 tt0 -46.63 -36.17 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.552 HD13 ' CD2' ' A' ' 95' ' ' PHE . 44.1 tp -67.89 -58.33 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.2 m -48.27 -46.06 35.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -53.1 -58.84 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 50.4 mttm -57.12 -37.8 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.01 -50.49 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.62 -49.14 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -47.77 -57.28 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.5 m-70 -69.49 -47.98 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.427 ' N ' HD21 ' A' ' 40' ' ' LEU . . . -39.41 -45.2 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.0 p -160.79 153.69 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.5 t -102.67 163.14 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -77.82 -157.0 8.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 112.79 3.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.8 t -61.04 137.11 58.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.2 t -134.51 97.4 3.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -108.45 125.1 51.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -121.81 123.16 41.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.26 160.08 28.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -160.8 157.79 27.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -127.69 146.81 50.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -148.37 -60.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.8 ptm 35.92 42.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.723 0.297 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.36 41.85 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.25 90.34 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.98 133.15 2.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 131.98 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.9 113.34 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.42 141.18 55.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.23 103.51 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.06 142.43 43.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.7 t -98.44 132.15 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB2' ' N ' ' A' ' 65' ' ' LYS . . . -120.55 49.69 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.01 153.93 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -80.46 135.1 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -87.64 150.04 23.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -105.22 113.0 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.66 111.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.51 36.52 3.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.1 p -174.19 141.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.86 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.84 -45.33 61.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -58.53 -53.62 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -62.2 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -50.29 -36.96 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 32' ' ' LEU . 4.1 tm-20 -67.94 -50.47 55.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 6.7 tp -56.95 -45.0 83.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' LEU . 7.4 mt -36.32 -44.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -61.62 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.51 -50.9 51.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -90.1 40.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.77 -49.48 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -62.72 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 170.6 14.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 tp -89.59 114.85 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 tp -92.03 144.83 25.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.72 107.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.2 t -91.32 137.09 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.98 126.37 46.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 21.0 m-85 -90.42 111.85 23.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 76' ' ' GLU . 34.2 p-90 -114.74 134.66 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.427 ' HB2' ' NE1' ' A' ' 49' ' ' TRP . . . -114.74 141.62 27.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.427 ' NE1' ' HB2' ' A' ' 47' ' ' ALA . 18.1 p-90 -120.17 -43.99 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 111.43 6.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -0.8 7.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -80.28 -44.06 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 29.3 p -52.63 -19.68 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -69.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -52.64 -38.57 60.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.7 mmt -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 53' ' ' CYS . 18.6 m-20 -54.32 -42.48 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.57 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.1 -46.91 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 63' ' ' LEU . 78.8 mtp -49.14 -60.75 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.48 -49.97 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -56.84 -32.11 65.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 59.8 mt -79.7 -42.69 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.75 -63.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 18' ' ' ALA . 22.0 pttp -62.68 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -52.25 -38.32 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.5 mt -126.45 91.46 47.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -15.14 36.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -90.08 17.56 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 71' ' ' SER . 90.4 t -128.99 156.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.462 ' N ' HG11 ' A' ' 70' ' ' VAL . 2.1 m -122.0 109.18 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -95.99 112.69 24.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 m -122.51 127.42 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -106.07 135.19 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 76' ' ' GLU . 1.2 tt -129.32 136.06 49.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.515 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 28.5 tt0 -83.7 114.28 21.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.21 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -69.4 -20.01 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.08 -45.24 10.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 52.8 t -120.02 82.59 29.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -27.04 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.69 -51.02 68.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.4 t -71.95 -53.22 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.9 m -45.9 -39.48 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -62.17 -56.62 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -45.15 -58.99 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -78.11 -13.15 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' SER . 46.0 mt-10 62.38 41.58 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.55 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.9 mm -77.82 83.69 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.2 t -103.99 39.28 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -158.24 139.09 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.541 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 30.9 m -144.92 151.36 48.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.74 161.42 86.17 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.362 -0.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.8 m -160.94 117.6 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CD2' HD13 ' A' ' 115' ' ' LEU . 46.3 m-85 -95.33 151.08 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 18.6 mt -137.84 107.04 6.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.556 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 58.7 m-85 -78.99 124.97 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 93.0 m-85 -122.89 118.99 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 104' ' ' ILE . 5.9 mmtp -116.28 116.57 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 56.93 41.98 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.5 m 63.74 37.99 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -152.27 107.5 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -56.59 121.43 9.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.453 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 20.2 pt -113.6 -26.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.556 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 30.9 t70 -140.4 168.01 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -163.06 139.06 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 108' ' ' ASP . 2.0 tt -126.7 127.02 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.456 ' N ' HD23 ' A' ' 107' ' ' LEU . 2.6 p30 -115.9 135.42 54.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.3 141.96 12.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.33 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 98.3 m-70 -122.52 111.26 16.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.7 -59.09 4.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.699 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.74 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -48.72 -45.06 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.54 HD13 ' CD2' ' A' ' 95' ' ' PHE . 44.4 tp -54.92 -57.99 9.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 117' ' ' LYS . 42.3 m -46.38 -63.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 116' ' ' THR . 41.6 mttp -35.99 -62.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.493 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 40.1 mttm -55.25 -51.95 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -49.31 -64.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -55.37 -51.98 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -46.06 -54.04 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 62.6 m-70 -71.55 -24.46 61.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.43 21.99 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 t -107.85 43.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.2 t -109.74 148.58 31.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 62.56 -111.75 4.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 152.5 69.23 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.2 p -128.63 110.59 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.1 p -165.41 114.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -94.85 87.35 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.38 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -157.79 134.1 9.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.56 137.14 35.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -82.6 161.11 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -110.03 96.09 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.08 96.91 1.8 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.1 tpt -121.9 105.0 9.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.97 41.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.33 92.35 3.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.51 44.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.83 92.68 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' C ' ' CD ' ' A' ' 14' ' ' GLU . . . -170.74 137.97 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' CD ' ' C ' ' A' ' 13' ' ' ALA . 15.4 mp0 -151.13 153.82 35.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.97 125.47 29.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.0 108.82 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.3 t -104.19 133.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.11 31.5 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.83 152.17 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.9 t -81.91 127.4 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.99 140.29 39.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.74 119.91 38.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.1 t -76.28 119.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.25 -32.71 16.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -160.53 170.85 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -50.15 -58.83 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.19 -46.76 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.549 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -59.49 -46.81 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 43' ' ' VAL . 34.2 t80 -70.61 -60.79 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 74.6 mt-10 -47.18 -40.18 15.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -66.63 -54.99 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LEU . 2.0 tp -52.85 -47.13 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 32' ' ' LEU . 10.3 mt -34.45 -42.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 5.7 mpt_? -74.16 -56.73 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mt -47.72 -56.94 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -89.59 40.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.75 -45.71 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -60.56 -22.94 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -110.5 159.82 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 HD21 ' C ' ' A' ' 122' ' ' HIS . 18.7 tp -70.81 131.29 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.3 tp -107.09 152.49 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.9 t -140.82 107.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 29' ' ' PHE . 69.8 t -97.97 98.3 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.546 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 4.4 t-160 -90.55 113.89 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 11.8 m-85 -72.42 103.46 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.463 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 31.9 p-90 -98.58 133.48 42.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.2 146.19 35.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.54 20.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -89.62 -46.95 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.63 108.66 1.25 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 0.0 111.114 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.75 35.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.32 -42.26 69.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -46.69 -22.9 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.54 -67.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -43.86 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 36.1 mmt -56.16 -17.23 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -82.52 -52.57 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -66.9 -35.08 79.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 50.2 t -58.75 -39.32 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 mtm -70.76 -45.35 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.27 -55.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -53.23 -38.51 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.27 -34.3 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -58.23 -52.28 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -71.02 -36.2 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.66 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -116.42 94.04 41.67 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.84 37.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.5 pm0 -88.79 13.02 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 71' ' ' SER . 68.4 t -122.97 156.42 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 27.7 m -123.95 111.17 15.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 93.7 m-85 -100.67 111.96 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.03 122.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.89 124.24 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tt -117.08 142.95 46.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 20.9 tt0 -85.68 116.4 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.38 -33.25 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -91.92 -21.83 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.89 5.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.71 81.16 5.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -28.26 25.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -46.72 -44.95 19.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.2 t -80.73 -48.34 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 88' ' ' GLU . 25.0 m -47.11 -41.27 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.6 -57.29 11.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -43.82 -58.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.18 -13.52 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' SER . 28.5 mt-10 63.28 47.71 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.558 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 23.3 mm -84.52 89.31 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -105.11 39.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -160.54 136.87 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.538 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 31.0 m -143.86 151.25 52.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.735 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.79 164.61 78.85 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.362 -0.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.2 m -160.58 115.77 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CE2' HD22 ' A' ' 115' ' ' LEU . 31.7 m-85 -95.03 139.46 31.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 35.2 mt -126.02 112.98 16.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.517 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 63.6 m-85 -84.17 117.68 23.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.538 ' CZ ' ' HB3' ' A' ' 96' ' ' LEU . 64.5 m-85 -121.22 112.48 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -114.75 111.29 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 71.56 39.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 p 61.56 36.11 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -150.46 116.9 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -59.67 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 105' ' ' ASP . 25.3 pt -118.14 -28.39 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.517 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 25.7 t70 -142.82 167.98 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -162.0 134.83 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.4 tt -118.73 114.74 23.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.79 128.45 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.74 135.66 9.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.07 109.14 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.6 m-70 -135.85 117.0 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.474 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.78 -60.11 4.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.441 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 5.5 tp10 -49.78 -37.21 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 95' ' ' PHE . 32.1 tp -66.24 -61.77 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 46.7 m -43.99 -57.47 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -43.66 -62.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.45 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 40.3 mttm -53.5 -42.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.3 t -58.49 -61.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -52.16 -52.49 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -52.85 -62.6 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 72.4 m-70 -64.12 -13.4 47.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.12 22.82 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.9 t -117.83 74.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.9 t -146.65 162.9 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 86.13 98.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.8 Cg_endo -69.79 2.63 3.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 127' ' ' PRO . 22.0 m -35.26 -56.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.0 p -72.66 134.86 45.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -55.71 111.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.388 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -163.94 137.49 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 111.89 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 m -135.36 128.34 31.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.9 p -146.49 163.91 34.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.45 128.06 12.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 131.89 26.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.324 . . . . 0.0 110.824 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.16 112.93 15.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.06 127.12 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.47 -107.77 2.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.05 84.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.22 81.01 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -129.76 112.12 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.7 127.93 12.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.9 105.81 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.4 t -119.83 121.82 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.38 39.19 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.21 152.64 38.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.5 t -76.41 113.27 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.43 142.58 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.49 104.97 17.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.3 t -94.08 107.5 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.63 39.24 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 p -172.96 136.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.77 -37.25 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -59.01 -47.94 88.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -57.18 -49.25 76.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 43' ' ' VAL . 16.7 t80 -66.77 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -49.29 -37.77 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 26.9 tt0 -66.82 -51.95 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.6 tp -53.97 -43.0 69.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -38.28 -35.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 12.3 mtp-105 -77.39 -54.21 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.65 -54.65 41.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -87.62 40.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.03 -46.33 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -45.57 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.1 p -81.24 174.12 11.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.02 127.99 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.0 tp -102.52 143.19 32.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.57 103.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.421 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.1 t -92.72 117.6 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.437 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 7.6 t-80 -106.85 120.96 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.547 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 14.0 m-85 -79.5 120.14 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 21.0 p-90 -123.39 120.63 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.21 145.54 33.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.15 20.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CH2' ' CG2' ' A' ' 92' ' ' VAL . 43.5 p-90 -112.54 13.24 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' CB ' HG21 ' A' ' 92' ' ' VAL . . . -122.69 108.69 32.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -26.8 27.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.14 -34.67 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.1 m -51.23 -20.58 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -67.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -37.68 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.9 mmt -66.3 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -63.17 -48.43 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.06 -57.74 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.3 t -47.85 -42.16 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.437 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 79.0 mtp -56.63 -64.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.2 -61.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -51.23 -46.04 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.9 mt -59.31 -50.14 75.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.89 -57.46 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -67.27 -40.24 86.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.83 -36.27 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.86 90.74 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -15.73 36.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -88.35 9.22 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -123.45 150.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m -115.59 109.34 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -95.89 123.49 39.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.88 134.57 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.62 133.69 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 76' ' ' GLU . 4.2 tt -128.06 144.29 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.571 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 38.4 tt0 -87.88 108.49 19.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.01 -52.28 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -68.87 -25.67 64.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.76 -40.6 44.91 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -124.63 81.25 60.71 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.561 0.696 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.14 37.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.376 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.54 -44.42 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.4 t -79.1 -48.08 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' GLU . 75.3 m -50.1 -40.47 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -61.87 -53.14 59.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.516 ' HD2' ' CE1' ' A' ' 87' ' ' TYR . 10.7 ttmm -45.24 -60.88 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.516 ' CE1' ' HD2' ' A' ' 86' ' ' LYS . 84.1 m-85 -80.95 -11.71 59.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 84' ' ' SER . 84.7 mt-10 62.43 48.8 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.547 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 22.1 mm -81.92 88.4 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.5 m -106.73 39.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.419 ' C ' HG11 ' A' ' 92' ' ' VAL . 76.5 p -158.06 134.58 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.543 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 20.0 m -140.92 150.56 59.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.75 165.17 77.32 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.334 -0.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.5 m -160.46 130.78 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CD2' HD13 ' A' ' 115' ' ' LEU . 60.1 m-85 -109.15 147.87 31.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.476 HD21 ' CG ' ' A' ' 106' ' ' ARG . 29.4 mt -141.1 107.78 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.96 123.48 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.25 117.05 28.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -110.38 124.81 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 50.81 31.71 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.3 t 74.93 30.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -144.78 115.3 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -59.09 127.12 30.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.9 pt -118.95 -22.8 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.42 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 13.1 t0 -155.4 163.51 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' CG ' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -157.26 138.12 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 3.1 tt -107.52 136.75 46.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 106' ' ' ARG . 0.9 OUTLIER -121.64 118.79 30.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.22 131.92 7.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.81 101.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 89.5 m-70 -128.55 118.86 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.7 -59.5 5.58 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.77 -47.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.742 2.294 . . . . 0.0 112.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 10.7 tp10 -52.21 -44.4 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 95' ' ' PHE . 48.2 tp -55.85 -54.53 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.7 m -56.14 -40.95 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -52.12 -60.52 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 36.5 mttm -59.41 -39.13 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.7 t -57.8 -50.69 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.41 -51.26 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -51.53 -48.6 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.0 m-70 -71.09 -41.59 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . -34.84 -36.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 122' ' ' HIS . 1.8 m -47.95 100.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 t -117.93 173.57 6.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.84 -96.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 156.14 64.32 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 t -164.79 172.03 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -110.14 101.38 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -69.87 -44.4 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m 57.18 41.84 26.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.31 72.84 0.46 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -131.57 100.18 5.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 p -106.7 151.29 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.05 55.74 0.53 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -46.91 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.85 41.4 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.14 41.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.67 108.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.04 159.7 20.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.78 103.66 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.8 91.4 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.1 110.82 17.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.6 143.03 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.8 t -105.86 131.01 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.51 36.14 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.24 145.89 49.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -75.36 134.24 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -90.87 148.26 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -97.19 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.7 t -98.54 120.1 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.5 13.24 9.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.4 p -150.37 148.57 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' N ' HG11 ' A' ' 80' ' ' VAL . . . -67.38 -31.27 71.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -63.02 -44.27 97.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.6 -44.93 92.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.9 t80 -61.22 -62.86 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.88 -32.63 66.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -71.18 -26.48 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' CD2' HG13 ' A' ' 73' ' ' VAL . 7.0 tp -83.51 -32.9 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.3 mt -47.3 -30.05 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 1.8 ptp180 -86.54 -38.08 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.01 -53.89 38.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -89.33 30.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -1.47 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -100.09 -30.95 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -105.73 174.57 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 HD22 ' CA ' ' A' ' 123' ' ' ALA . 32.2 tp -82.22 109.56 16.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.1 tp -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.08 102.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 29' ' ' PHE . 86.6 t -85.65 110.27 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 95' ' ' PHE . 17.6 t-80 -101.19 116.43 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CE2' ' CG2' ' A' ' 89' ' ' ILE . 3.1 m-85 -74.4 113.76 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -116.31 129.52 56.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -115.48 144.27 32.09 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.562 0.696 . . . . 0.0 111.092 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.33 5.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.1 p-90 -112.6 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.76 104.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.42 4.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG2' ' CB ' ' A' ' 110' ' ' ALA . 6.0 tt0 -82.21 -50.06 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 17.5 p -40.82 -36.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -35.79 -70.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 56' ' ' MET . 1.4 pt20 -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 15.0 mmm -64.67 -27.02 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -70.06 -52.85 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 t -63.23 -42.8 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LEU . 76.3 mtp -62.62 -60.8 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.55 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.58 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' MET . 29.8 mt -75.04 -40.82 60.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.55 36.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -62.17 -46.39 89.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -58.17 -39.24 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.405 HD12 ' NE2' ' A' ' 120' ' ' GLN . 41.2 mt -118.36 87.27 29.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -23.85 30.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.318 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -73.72 -20.12 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.8 t -94.77 153.61 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -116.98 116.56 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.68 124.0 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.423 HG13 ' CD2' ' A' ' 32' ' ' LEU . 2.3 m -130.28 127.38 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -104.01 132.72 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tt -127.12 133.69 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -82.14 110.33 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.01 -55.89 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' N ' ' OE2' ' A' ' 76' ' ' GLU . 20.5 mt-10 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.16 -39.72 18.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 26' ' ' ALA . 17.9 t -126.83 81.05 69.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.39 16.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.97 -48.65 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.1 t -74.48 -47.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.7 m -48.99 -35.33 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.29 -52.27 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.89 -35.52 75.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -95.47 -13.65 24.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 mt-10 62.68 30.16 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.596 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 3.0 mm -68.93 85.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -105.26 41.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 p -163.41 135.69 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.0 m -145.15 154.09 53.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.72 162.15 84.62 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.368 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -154.55 124.59 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' A' ' 44' ' ' HIS . 31.1 m-85 -101.46 133.73 45.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 89' ' ' ILE . 31.5 mt -120.08 110.73 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -81.39 125.25 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -123.63 111.99 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -108.14 110.21 21.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 67.95 39.16 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p 64.49 37.5 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -151.64 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.46 124.45 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.8 pt -119.55 -20.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -147.9 170.6 17.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -162.69 127.27 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -112.68 108.29 17.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -90.07 129.81 36.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.22 159.66 30.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 52' ' ' GLN . . . -84.99 94.53 8.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 94.5 m-70 -114.75 112.76 23.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.494 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -65.35 -59.42 9.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.458 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.5 OUTLIER -50.56 -45.28 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.571 HD12 ' CD2' ' A' ' 95' ' ' PHE . 58.1 tp -52.36 -56.85 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.3 m -51.59 -42.45 61.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -50.94 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -58.27 -48.89 79.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.6 t -48.29 -58.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . 0.405 ' NE2' HD12 ' A' ' 67' ' ' LEU . 35.7 mm-40 -62.16 -50.94 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -42.74 -61.08 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -67.38 -49.56 63.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.457 ' CA ' HD22 ' A' ' 40' ' ' LEU . . . -51.46 -16.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.5 t -107.12 101.27 10.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.7 p -93.74 -64.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -100.1 -153.13 27.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 128' ' ' SER . 54.2 Cg_endo -69.72 151.6 69.35 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 127' ' ' PRO . 11.1 t -34.6 128.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.0 m -141.6 109.0 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -104.45 113.42 26.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -140.8 137.66 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.78 137.93 49.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -139.79 127.1 21.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -167.1 106.5 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.99 46.43 0.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -88.49 133.0 34.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.84 78.81 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.24 40.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 97.28 1.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.4 110.67 22.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.15 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -118.38 98.92 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.47 126.89 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.38 172.67 17.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.39 133.55 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 65' ' ' LYS . . . -102.59 48.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.49 153.08 29.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t -79.26 121.94 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.1 145.83 39.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -100.96 122.66 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -86.7 117.34 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.07 -31.82 27.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.0 p -158.82 169.92 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -54.2 -51.95 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -35.91 -54.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.94 -58.25 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.56 ' CE2' HD12 ' A' ' 33' ' ' LEU . 30.4 t80 -47.18 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.05 -39.04 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.54 -43.1 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD2' HG11 ' A' ' 73' ' ' VAL . 2.5 tp -65.8 -35.94 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.56 HD12 ' CE2' ' A' ' 29' ' ' PHE . 13.1 mt -50.14 -38.23 38.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -74.39 -60.93 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.12 -56.21 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -86.65 41.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.18 -47.85 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -63.24 -41.69 99.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -81.78 157.64 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 tp -78.54 118.32 20.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -97.9 137.33 36.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -123.11 103.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.2 t -89.58 98.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -90.94 144.57 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 18.0 m-85 -106.89 111.2 23.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -109.99 148.98 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.27 144.14 44.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.1 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.75 33.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.46 ' CZ3' ' HB1' ' A' ' 50' ' ' ALA . 24.8 p-90 -91.26 -57.83 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB1' ' CZ3' ' A' ' 49' ' ' TRP . . . -60.43 116.21 16.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.92 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -38.77 -48.0 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.8 -50.71 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -39.98 -52.97 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 8.6 mmt -52.67 -53.22 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -39.78 -53.24 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.26 -41.21 98.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 70.0 t -56.05 -53.02 43.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.6 mtm -61.1 -47.74 84.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.62 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.25 -56.28 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 116' ' ' THR . 36.3 mt -42.78 -50.72 5.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.35 -42.96 43.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 19.9 mttm -66.15 -39.37 89.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -68.19 -43.53 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 HD21 ' NE2' ' A' ' 69' ' ' GLN . 5.7 mt -116.7 94.21 43.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.35 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.46 ' NE2' HD21 ' A' ' 67' ' ' LEU . 11.9 pm0 -65.71 -27.83 68.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' SER . 95.6 t -78.34 150.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -116.33 106.75 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.556 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 57.3 m-85 -96.03 128.56 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.467 HG11 ' CD2' ' A' ' 32' ' ' LEU . 31.5 m -138.77 121.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -102.15 131.95 48.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.461 ' CD1' ' HB ' ' A' ' 80' ' ' VAL . 2.5 tt -125.2 140.28 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.99 109.93 19.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.15 -40.81 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -83.48 -28.03 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.03 -54.2 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.461 ' HB ' ' CD1' ' A' ' 75' ' ' LEU . 41.2 t -110.49 82.55 2.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.38 20.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -46.34 -52.46 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.3 -51.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.9 m -43.97 -35.64 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -70.36 -54.71 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.528 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 32.1 ttmt -42.34 -62.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.528 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 86.4 m-85 -78.98 -14.16 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 66.88 45.37 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.558 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 40.6 mm -78.16 89.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.9 t -111.97 40.74 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.3 p -161.69 143.54 11.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.527 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 34.9 m -145.19 150.56 45.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.7 161.18 86.54 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.411 -0.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.1 m -161.13 118.94 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CZ ' HD12 ' A' ' 115' ' ' LEU . 44.8 m-85 -102.06 154.07 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.1 mt -141.11 105.52 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 53.6 m-85 -79.18 124.53 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 38.8 m-85 -119.84 111.2 17.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.11 107.88 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 70.36 40.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m 64.26 33.39 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -149.31 128.32 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -68.24 134.09 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.437 HG13 ' N ' ' A' ' 105' ' ' ASP . 35.4 pt -124.77 -33.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 31.0 t70 -135.6 169.87 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -162.42 122.44 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.5 tt -108.95 122.39 47.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.401 ' N ' HD22 ' A' ' 107' ' ' LEU . 1.5 t70 -117.56 132.17 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.15 129.67 6.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 93' ' ' PRO . . . -51.85 103.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 74.4 m-70 -133.99 114.81 13.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.519 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.83 -58.23 5.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.3 Cg_endo -69.73 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.462 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 11.9 tp10 -48.26 -43.44 32.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.53 HD12 ' CZ ' ' A' ' 95' ' ' PHE . 30.8 tp -55.86 -62.1 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.464 HG23 ' CD2' ' A' ' 63' ' ' LEU . 97.3 m -50.82 -52.51 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -46.43 -60.98 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 29.2 mttm -55.99 -49.35 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.6 t -50.34 -64.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -50.37 -57.05 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -43.32 -62.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 71.5 m-70 -60.96 -23.3 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.21 23.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t 43.75 38.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.7 t -84.42 94.31 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.52 97.84 2.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 128' ' ' SER . 54.1 Cg_endo -69.79 102.73 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 127' ' ' PRO . 77.4 p 35.17 41.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.5 p -114.01 131.76 56.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 p -173.91 136.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -160.07 170.8 20.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.19 161.67 12.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -161.4 160.18 29.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -155.39 171.7 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.9 77.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 ttt -115.11 116.09 27.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.45 157.8 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.07 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.98 -54.7 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.28 124.75 1.8 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 45.28 41.72 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.87 41.23 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.52 132.7 47.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 41.89 41.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.77 122.01 32.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.1 t -117.26 137.82 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.85 41.11 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.82 152.93 33.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -86.64 103.06 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.93 144.81 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -96.25 109.73 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.5 t -88.52 102.53 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.44 31.75 8.16 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.459 ' CA ' HG22 ' A' ' 80' ' ' VAL . 54.1 p -170.87 138.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.08 -40.62 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.1 -46.62 84.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.18 -50.0 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -59.81 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -48.29 -38.87 19.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -67.58 -37.59 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.7 -36.78 73.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 mt -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 35' ' ' LEU . 7.7 ptt180 -76.32 -37.26 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 34.7 mt -61.61 -54.26 45.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -98.89 39.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.14 -59.51 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.44 -40.5 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.9 m -87.14 179.33 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -92.73 116.08 28.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.89 150.53 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -136.64 114.1 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.5 t -103.69 102.16 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 1.9 t-160 -94.83 122.58 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD2' HG23 ' A' ' 89' ' ' ILE . 13.3 m-85 -79.34 107.24 11.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 14.2 p-90 -106.85 134.43 50.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 144.95 55.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -20.39 34.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -101.37 21.2 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.44 111.07 15.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -46.9 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -48.06 -30.87 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 53.9 m -65.26 -46.63 79.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -38.33 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.6 mmt -60.13 -20.67 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -82.95 -60.53 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.15 -30.26 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.62 -45.42 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.1 mtm -60.64 -43.45 97.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.35 -50.59 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.82 -56.68 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.24 -48.75 6.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.48 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.59 -42.32 87.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.64 -41.75 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -116.97 97.64 50.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.715 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -38.71 7.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -57.03 -33.69 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.506 HG13 ' CE1' ' A' ' 72' ' ' PHE . 53.9 t -77.48 152.95 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -124.99 113.61 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.506 ' CE1' HG13 ' A' ' 70' ' ' VAL . 3.8 m-85 -97.39 132.87 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.74 127.38 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -106.08 127.35 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 76' ' ' GLU . 4.7 tt -117.17 132.7 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 26.8 tt0 -76.23 104.45 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.95 -49.65 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.43 -26.67 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.92 33.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG22 ' CA ' ' A' ' 25' ' ' SER . 80.9 t -113.5 82.85 6.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -19.68 36.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.38 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -63.85 -48.18 77.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 86' ' ' LYS . 86.5 t -73.95 -60.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' GLU . 13.6 m -37.37 -43.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.41 -46.35 80.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 87' ' ' TYR . 21.2 ttpt -48.92 -44.39 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.554 ' CE1' ' HE3' ' A' ' 86' ' ' LYS . 8.0 m-85 -96.77 -10.75 26.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' SER . 41.7 mt-10 63.31 46.14 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.572 HG23 ' CD2' ' A' ' 45' ' ' PHE . 23.6 mm -84.31 84.28 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -101.13 39.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -159.23 141.43 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.533 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 27.1 m -145.11 151.36 48.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.78 165.23 77.23 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 -1.822 . . . . 0.0 112.349 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.6 m -160.71 113.66 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 26.6 m-85 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 19.9 mt -128.8 106.08 8.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.26 120.79 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 72.8 m-85 -121.59 117.24 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -112.46 126.68 55.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 m120 52.24 38.25 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.3 t 67.25 35.78 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -152.64 118.49 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.21 135.09 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 105' ' ' ASP . 7.4 pt -123.34 -25.96 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' N ' HG13 ' A' ' 104' ' ' ILE . 7.4 t70 -152.15 173.37 15.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -161.77 137.15 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.9 tt -107.84 113.07 26.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.54 129.76 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.28 150.36 23.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.465 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -69.66 126.93 31.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 98.4 m-70 -153.33 117.05 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.508 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -71.7 -58.58 3.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.082 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.76 -42.36 3.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.28 -39.11 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 33.5 tp -58.8 -54.03 51.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 88.8 m -55.08 -51.76 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -44.42 -60.09 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -58.2 -46.07 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.4 t -52.18 -62.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -55.21 -54.62 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -47.87 -55.93 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -66.14 -25.71 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.72 23.51 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 125' ' ' SER . 6.2 m 47.58 40.93 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.831 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 124' ' ' SER . 12.4 t 36.76 41.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 133.73 172.65 12.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.72 3.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.6 p -39.8 107.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.1 m -127.25 165.8 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -60.92 170.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -143.33 135.93 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.44 144.06 30.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -120.65 123.68 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -101.48 107.65 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.26 81.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -102.21 87.41 3.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.38 84.97 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.73 88.64 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.46 58.8 2.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.91 54.22 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.42 118.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -76.71 156.69 32.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.08 134.63 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.25 141.79 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 t -115.24 125.31 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 65' ' ' LYS . . . -102.74 53.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.05 153.18 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.19 107.27 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -73.58 146.18 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.87 128.62 44.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -113.45 114.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.42 32.68 4.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.422 ' N ' HG23 ' A' ' 80' ' ' VAL . 3.6 p -166.63 134.56 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.57 82.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.37 -36.57 77.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.439 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.59 -49.19 69.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.495 ' CE1' HG23 ' A' ' 43' ' ' VAL . 28.8 t80 -61.67 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.44 -34.16 66.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.25 -47.3 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' ARG . 7.1 tp -59.45 -46.13 89.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . 24.3 mt -36.73 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' LEU . 31.8 mtp180 -79.68 -47.14 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 18.1 mt -61.49 -56.56 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -91.01 39.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.93 -66.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -53.57 -38.63 64.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -77.08 163.01 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.3 tp -82.77 127.0 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 tp -110.81 147.24 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -134.81 109.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.495 HG23 ' CE1' ' A' ' 29' ' ' PHE . 99.5 t -94.85 102.88 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -92.85 119.76 32.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.2 m-85 -81.41 121.3 26.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.414 ' CE2' ' HG3' ' A' ' 76' ' ' GLU . 21.9 p-90 -124.73 128.86 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -111.84 142.8 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -7.16 20.39 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -103.38 -32.56 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.79 109.2 28.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.699 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -20.75 34.09 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 110' ' ' ALA . 13.8 tp60 -55.06 -26.18 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.4 p -59.52 -17.23 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -68.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.92 -38.93 70.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.8 mmt -59.34 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -74.84 -41.38 59.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.56 -44.44 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.01 -39.89 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.6 mtm -69.41 -49.49 54.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.04 -52.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.05 -53.78 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.7 mt -43.61 -59.76 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.88 -44.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . 46.5 mttt -64.61 -46.56 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -63.08 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 mt -120.71 90.7 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.04 36.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -84.13 7.86 17.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 71' ' ' SER . 73.7 t -112.67 157.98 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.448 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 3.3 m -126.78 105.37 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -93.68 115.35 27.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.18 128.41 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -104.7 131.12 52.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tt -124.14 151.0 44.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 tt0 -96.68 120.78 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.19 92.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -78.58 -27.1 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.15 -33.37 40.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 25' ' ' SER . 19.5 t -134.29 81.03 50.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.45 25.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -45.29 -54.85 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.54 -46.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . 11.9 m -53.6 -34.11 57.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -66.02 -59.92 3.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 12.0 tttm -43.71 -57.39 3.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 96.8 m-85 -80.3 -14.72 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 84' ' ' SER . 13.6 mt-10 63.01 42.8 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.563 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 15.6 mm -77.79 85.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -103.56 41.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.1 p -158.26 136.0 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.536 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 29.1 m -144.52 151.28 50.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.1 Cg_endo -69.71 159.98 88.63 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.361 -0.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.3 m -158.16 121.45 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.509 ' CE2' HD22 ' A' ' 115' ' ' LEU . 52.0 m-85 -98.66 152.61 19.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.6 mt -139.2 106.79 5.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 79.9 m-85 -80.24 111.83 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -110.58 119.27 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -112.09 126.38 55.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 49.89 34.42 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 72.16 32.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -147.41 113.51 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.02 131.41 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.9 pt -119.43 -32.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.448 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.3 t0 -152.88 147.87 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 6.9 ttm180 -131.5 143.66 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 3.3 tt -122.45 109.77 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -104.81 125.59 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 111' ' ' HIS . . . 106.11 123.84 5.21 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.462 ' HB1' ' CG ' ' A' ' 93' ' ' PRO . . . -50.61 106.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 88.3 m-70 -135.12 119.72 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.486 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -69.08 -59.89 4.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.73 -47.98 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 5.8 tp10 -49.64 -36.07 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.509 HD22 ' CE2' ' A' ' 95' ' ' PHE . 48.2 tp -66.17 -59.31 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 94.5 m -50.05 -44.97 51.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -52.74 -59.94 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 97' ' ' PHE . 32.1 mttm -56.08 -41.24 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.51 -62.68 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.27 -54.83 18.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -50.07 -56.71 9.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 45.3 m-70 -68.56 -8.18 39.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -100.96 13.41 35.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 m 45.92 36.84 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 56.5 p -115.33 151.03 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.26 152.97 5.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -111.03 160.44 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.0 p -87.17 114.18 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -90.79 86.69 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p -105.49 111.25 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 167.09 23.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -152.66 159.94 43.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -135.91 166.45 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.74 152.75 17.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.7 mtm -139.47 161.55 37.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 125.85 25.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.09 -51.67 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.34 141.0 11.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.2 127.42 32.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 111.073 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.88 128.82 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -109.3 150.86 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.32 114.28 9.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.36 122.28 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.2 t -91.75 128.36 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -124.47 41.09 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.4 150.0 46.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.93 117.94 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.06 158.04 35.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.27 131.0 56.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.4 t -83.36 123.52 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.3 -34.09 13.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 p -163.55 173.51 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -48.21 -59.67 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.14 -57.01 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.75 -59.81 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -55.03 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.5 -40.34 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.37 -58.74 5.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.2 tp -47.53 -49.54 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.6 mt -34.25 -50.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -57.07 -62.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.55 -53.57 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -89.92 42.36 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.77 -54.59 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.5 -43.88 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -72.53 179.53 3.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -99.0 132.71 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -112.46 143.11 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.1 105.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.4 t -100.09 105.94 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 6.8 t-80 -94.78 139.55 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.7 m-85 -99.32 103.0 14.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -108.2 136.17 48.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 49' ' ' TRP . . . -113.01 139.03 22.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.2 3.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CE2' ' HB1' ' A' ' 47' ' ' ALA . 22.2 p-90 -117.93 -53.04 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.491 ' N ' ' CE3' ' A' ' 49' ' ' TRP . . . -53.06 119.92 18.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -3.44 12.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ALA . 62.5 mt-30 -73.92 -61.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 28.6 p -35.96 -31.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -39.45 -70.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -66.08 -52.97 43.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.464 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 24.1 mmm -40.58 -33.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.42 -67.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 7.1 pt-20 -47.74 -36.08 10.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 90.6 t -60.17 -39.91 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.9 mtp -66.07 -59.77 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.67 -40.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.13 -37.74 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 60' ' ' MET . 36.7 mt -70.26 -49.89 45.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.8 19.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 18.4 ptpt -65.37 -47.69 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.3 tp10 -54.0 -46.38 71.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.03 94.26 47.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.15 26.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.72 -33.77 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.97 153.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 61.2 m -116.36 101.63 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -91.23 126.81 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.9 m -135.16 122.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -98.39 131.68 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -127.29 124.34 38.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' C ' HD21 ' A' ' 75' ' ' LEU . 19.4 tt0 -70.36 122.89 20.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.39 74.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -84.67 -27.34 27.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.03 -52.6 8.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -112.05 79.4 2.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -40.92 4.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.224 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -40.07 -50.95 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.38 -57.82 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLU . 12.9 m -40.83 -42.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.44 -57.09 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -41.79 -61.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.13 -14.33 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' SER . 43.5 mt-10 65.55 41.76 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.557 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 23.7 mm -77.89 90.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -107.22 39.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.3 p -157.36 135.98 11.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.539 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 20.1 m -145.62 150.46 43.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.608 0.718 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.7 Cg_endo -69.77 162.51 84.02 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.322 -0.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 m -161.41 126.91 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.488 ' CE2' HD21 ' A' ' 115' ' ' LEU . 27.5 m-85 -106.79 144.23 33.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.466 HD21 ' CG ' ' A' ' 106' ' ' ARG . 85.3 mt -130.4 107.99 9.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -82.34 116.63 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.61 125.22 53.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -123.13 115.75 22.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 62.44 37.31 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 66.94 36.51 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -151.36 125.03 9.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -66.64 117.09 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.8 pt -105.29 -27.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -156.36 156.95 34.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' CG ' HD21 ' A' ' 96' ' ' LEU . 4.1 tmm_? -146.69 147.68 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -102.37 129.33 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.06 158.18 25.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.468 ' HB3' ' CG ' ' A' ' 93' ' ' PRO . . . -81.37 94.06 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.5 m-70 -122.07 113.26 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -68.49 -58.27 7.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.646 0.736 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.76 -49.58 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 26.9 tt0 -46.13 -45.55 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 95' ' ' PHE . 47.7 tp -56.9 -65.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 m -38.51 -51.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -48.05 -62.1 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.417 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 25.2 mttp -54.29 -42.17 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.6 t -55.49 -54.04 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.01 -51.95 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -51.59 -61.99 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 39.9 m-70 -57.62 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -40.89 -34.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -175.08 129.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.3 p -62.64 -51.1 68.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.62 134.47 8.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.56 10.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 67.9 m -87.72 88.66 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.8 m 60.01 43.14 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 m -86.64 80.74 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -105.4 154.2 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.27 -149.43 27.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -153.61 129.68 10.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -155.98 158.13 37.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.63 119.77 0.71 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.17 154.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 161.26 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.45 150.95 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.0 -124.34 3.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.98 87.49 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.11 129.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 15' ' ' ALA . 24.6 tt0 -152.57 151.19 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' N ' ' HG2' ' A' ' 14' ' ' GLU . . . -115.71 121.29 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.98 122.18 33.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.87 128.55 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.81 43.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.04 152.35 44.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.1 t -78.47 130.93 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -76.66 157.94 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.86 116.63 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.1 t -107.83 107.87 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.09 37.48 3.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.43 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.8 p -173.41 155.26 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.83 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.16 -41.73 96.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -60.88 -53.89 51.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CE1' HG22 ' A' ' 43' ' ' VAL . 7.0 t80 -61.35 -62.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -47.46 -39.64 16.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.68 -53.76 46.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 tp -49.54 -51.86 33.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 32' ' ' LEU . 11.4 mt -34.28 -40.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -70.68 -60.82 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.76 -53.32 49.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -90.19 42.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.29 -47.6 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -57.26 -49.34 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -78.24 174.72 10.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.5 tp -89.51 126.08 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -105.84 149.02 26.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -138.27 110.79 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.555 HG22 ' CE1' ' A' ' 29' ' ' PHE . 96.0 t -99.7 99.63 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 4.8 t-80 -88.53 132.05 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 11.8 m-85 -90.36 103.04 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.557 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.6 p-90 -98.93 136.04 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' A' ' 92' ' ' VAL . . . -122.46 144.07 41.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.87 6.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -71.63 -51.54 22.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.68 112.31 10.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.71 . . . . 0.0 111.158 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.56 28.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' CYS . 18.4 mp0 -62.03 -48.02 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 25.4 p -36.0 -37.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' HA ' ' OD1' ' A' ' 57' ' ' ASN . . . -52.7 -70.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' ALA . 5.1 mm-40 -37.3 -44.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.454 ' N ' ' HE3' ' A' ' 56' ' ' MET . 11.1 mmt -64.99 -58.65 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.511 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -40.27 -38.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.83 -53.32 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.5 t -54.86 -43.17 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.79 -55.34 35.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.8 -51.33 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 21.0 mt -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.14 -59.35 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -67.05 -48.7 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -47.28 -47.31 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 29.9 mt -114.35 93.23 30.72 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.74 -15.61 37.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -96.12 24.96 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG12 ' CE2' ' A' ' 72' ' ' PHE . 93.3 t -131.46 139.31 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.6 m -104.76 105.32 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 63' ' ' LEU . 94.8 m-85 -95.6 120.27 35.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.26 130.23 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -108.26 129.73 55.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.409 HD21 ' C ' ' A' ' 76' ' ' GLU . 9.8 tt -116.65 141.13 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 37.7 tt0 -88.67 100.48 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.94 -43.5 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -77.36 -24.64 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -76.52 -41.07 25.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.8 t -127.26 82.94 67.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 111.1 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.79 37.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.18 -53.67 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.92 -43.64 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.0 m -52.67 -39.64 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.09 -57.02 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -42.83 -61.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -75.97 -12.66 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 62.67 43.67 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.564 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 24.4 mm -79.38 92.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -109.08 39.6 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.9 p -161.58 141.67 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.526 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 27.0 m -145.16 151.17 47.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.75 165.14 77.38 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.331 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 m -156.53 119.27 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 44' ' ' HIS . 76.7 m-85 -101.66 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 31.1 mt -122.01 105.26 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -78.98 119.67 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -116.99 113.4 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -110.14 112.94 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.06 41.76 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m 62.71 37.21 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -154.25 112.76 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -55.45 127.39 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 105' ' ' ASP . 38.1 pt -119.91 -34.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.469 ' N ' HG13 ' A' ' 104' ' ' ILE . 9.9 t70 -136.98 169.34 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -163.04 143.56 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.6 tt -126.3 121.15 31.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -108.12 138.7 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.21 148.32 23.89 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.62 99.85 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 80.2 m-70 -127.91 117.24 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 113' ' ' PRO . . . -70.67 -59.27 3.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.461 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -51.98 -43.89 63.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 95' ' ' PHE . 53.5 tp -54.98 -58.26 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' LYS . 90.0 m -48.93 -60.33 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' THR . 49.8 mttm -34.6 -67.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -52.28 -49.28 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.5 t -51.05 -63.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -49.55 -57.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -46.49 -60.39 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.428 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 63.9 m-70 -63.33 -23.52 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.95 23.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.5 t -91.26 78.6 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 91.6 p -151.12 135.59 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 58.66 111.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.7 Cg_endo -69.74 2.64 3.35 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 127' ' ' PRO . 21.8 m -34.83 111.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.2 m 59.47 47.64 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 127' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.851 ' HB2' HG12 ' A' ' 73' ' ' VAL . 44.2 mt-10 -76.81 147.16 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -105.53 110.64 23.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 29' ' ' PHE . 24.5 t -95.79 118.39 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.34 23.3 7.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.7 p -165.99 148.64 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.69 71.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.11 -51.83 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 43' ' ' VAL . 21.0 t80 -63.14 -61.35 2.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -50.25 -31.7 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.88 -53.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.876 HD23 HD11 ' A' ' 41' ' ' LEU . 7.6 tp -52.9 -42.57 65.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt -35.47 -50.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -66.86 -56.55 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.21 -61.8 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HB2' HD13 ' A' ' 41' ' ' LEU . 13.6 mmtm -84.33 40.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -73.75 -49.67 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.92 -47.28 85.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.2 p -74.04 -178.47 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 123' ' ' ALA . 40.3 tp -99.77 114.96 28.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.876 HD11 HD23 ' A' ' 32' ' ' LEU . 8.6 tp -94.74 134.55 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -122.95 107.46 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.626 HG21 ' CE1' ' A' ' 29' ' ' PHE . 99.0 t -96.67 106.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -101.52 137.18 40.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 47.0 m-85 -95.81 107.34 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.586 ' CZ2' ' HG3' ' A' ' 76' ' ' GLU . 34.9 p-90 -106.75 146.81 30.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.603 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -130.56 138.62 33.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.31 4.51 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.603 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 60.1 p-90 -116.15 -50.97 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 121.91 53.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.461 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.78 -33.88 15.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -53.89 -46.76 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -54.62 -19.23 5.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 51' ' ' PRO . . . -60.22 -67.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -64.47 -40.63 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.424 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 13.3 mmt -53.75 -31.78 49.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -74.32 -44.91 50.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.16 -43.6 95.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.3 -45.56 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' ALA . 50.4 mtp -52.31 -55.35 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.39 -56.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -55.63 -61.34 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.33 -58.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.26 -37.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -71.74 -47.54 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -60.66 -42.42 96.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HB3' HG23 ' A' ' 70' ' ' VAL . 42.1 mt -109.67 89.64 7.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.6 37.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.59 18.48 14.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 67' ' ' LEU . 91.2 t -118.51 154.55 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' HG12 ' A' ' 70' ' ' VAL . 44.9 m -119.78 115.28 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.52 110.71 22.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' A' ' 21' ' ' GLU . 29.3 m -122.36 127.96 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -106.37 131.14 53.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -118.55 146.73 44.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 12.9 mt-10 -85.87 112.92 21.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.88 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -79.72 -25.57 41.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.35 -39.78 87.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -125.43 81.15 64.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -5.74 16.92 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.33 -47.57 55.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.79 -45.35 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.2 m -52.32 -36.67 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.9 -56.17 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -46.54 -59.45 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -79.19 -10.42 59.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 84' ' ' SER . 36.8 mt-10 59.65 42.95 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 94' ' ' THR . 10.1 mm -81.45 93.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -115.57 41.32 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -159.63 142.1 13.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.52 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.5 m -143.55 154.1 59.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 111.086 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.647 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.4 Cg_endo -69.78 164.61 78.84 Favored 'Cis proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.362 -0.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 89' ' ' ILE . 17.6 m -157.91 123.87 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -110.98 139.11 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 28.7 mt -127.47 113.79 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -85.5 110.71 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 94.2 m-85 -109.12 116.47 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -119.84 119.96 35.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.427 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 0.1 OUTLIER 63.3 37.3 11.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 p 61.78 36.3 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 104' ' ' ILE . 48.4 mt-30 -152.94 110.62 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.451 ' HD2' HD22 ' A' ' 96' ' ' LEU . 18.9 ttpp -51.6 126.81 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 102' ' ' GLN . 7.0 pt -120.45 -21.37 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -150.44 164.83 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.423 ' HG3' HD23 ' A' ' 96' ' ' LEU . 19.6 ttt180 -162.42 134.21 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.3 tt -115.14 122.24 45.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -106.27 134.56 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.62 154.95 30.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -77.76 98.86 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.4 m-70 -126.85 114.62 18.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.0 -59.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.0 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 1.6 tp10 -47.24 -36.78 9.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 119' ' ' VAL . 18.8 tp -65.99 -61.15 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 m -44.44 -49.66 9.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -47.47 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.587 ' HD2' HD12 ' A' ' 107' ' ' LEU . 29.6 mttp -56.27 -48.09 77.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 115' ' ' LEU . 92.9 t -50.92 -57.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -59.24 -51.65 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -41.53 -62.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' ALA . 22.1 m80 -68.24 -53.77 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.482 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.817 0.341 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.5 141.1 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -95.81 109.71 21.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 29' ' ' PHE . 51.6 t -89.95 122.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.57 29.01 3.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 p -163.82 132.35 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.82 -53.55 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.38 -45.2 45.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -53.49 -48.91 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.484 ' HB2' HG11 ' A' ' 23' ' ' VAL . 34.0 t80 -65.97 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -50.32 -34.79 24.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.8 -45.23 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.72 HD23 HD11 ' A' ' 41' ' ' LEU . 2.3 tp -60.08 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' LEU . 11.5 mt -35.43 -41.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -74.17 -56.04 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.48 -56.19 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -87.83 38.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -44.88 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -63.26 -43.99 96.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -85.59 152.85 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.36 122.35 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.72 HD11 HD23 ' A' ' 32' ' ' LEU . 7.8 tp -97.33 130.14 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -118.98 103.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.0 t -81.35 152.84 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -142.83 121.43 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.7 ' HB3' HG12 ' A' ' 92' ' ' VAL . 23.8 m-85 -91.77 124.48 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -123.85 136.57 54.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -114.08 141.43 26.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.06 6.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 15.0 p-90 -117.31 -40.78 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -73.66 123.76 89.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -41.4 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.5 mt-30 -37.09 -41.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 54' ' ' ALA . 12.2 p -36.09 -46.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' N ' ' SG ' ' A' ' 53' ' ' CYS . . . -62.98 -64.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' ALA . 3.6 mp0 -35.43 -38.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.2 -46.19 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ALA . 10.6 t30 -45.15 -52.02 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.71 -60.03 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -48.62 -40.04 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.2 mtp -56.44 -63.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.96 -54.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -51.58 -43.96 62.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.551 HD21 HG23 ' A' ' 116' ' ' THR . 33.7 mt -67.59 -52.66 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.7 -61.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -64.74 -41.32 96.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.86 -32.74 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 6.6 mt -134.71 92.68 19.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.71 -20.74 34.71 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.444 ' HG2' HG23 ' A' ' 70' ' ' VAL . 5.4 pm0 -74.35 -9.76 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.444 HG23 ' HG2' ' A' ' 69' ' ' GLN . 58.2 t -109.38 141.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -109.24 113.78 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 61.2 m-85 -95.2 119.11 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.494 HG11 HD22 ' A' ' 32' ' ' LEU . 19.9 m -125.51 131.15 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.0 tt -128.35 138.16 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -87.99 115.54 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.24 -54.45 21.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -66.01 -19.79 65.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.45 -55.24 4.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.87 78.6 2.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -5.53 16.41 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.0 t -93.52 -30.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' GLU . 19.5 m -60.88 -31.97 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 86' ' ' LYS . 11.4 pt-20 -70.27 -51.07 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 1.1 tmtp? -45.98 -52.05 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -90.49 -13.56 34.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 84' ' ' SER . 54.0 mt-10 66.79 40.7 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.768 HD11 HD11 ' A' ' 96' ' ' LEU . 13.6 mm -74.45 92.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -113.95 42.56 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 p -164.94 140.84 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.7 HG12 ' HB3' ' A' ' 45' ' ' PHE . 33.6 m -144.02 150.62 49.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.74 164.86 78.09 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.38 -0.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.637 HG21 HD12 ' A' ' 89' ' ' ILE . 12.7 m -154.18 132.5 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.549 ' CD2' HD11 ' A' ' 115' ' ' LEU . 47.3 m-85 -113.72 135.35 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.768 HD11 HD11 ' A' ' 89' ' ' ILE . 26.2 mt -127.46 105.7 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 78.9 m-85 -79.33 125.05 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 80.6 m-85 -126.72 112.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -111.04 106.11 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.04 41.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m 61.72 43.9 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -156.15 119.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -64.03 129.95 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 105' ' ' ASP . 15.5 pt -126.36 -31.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.528 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 16.3 t70 -139.09 167.52 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -163.01 138.77 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -125.13 111.57 15.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -99.13 140.6 33.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.64 167.93 38.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.32 103.43 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 111.081 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 41.5 m80 -131.86 117.05 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.58 -60.01 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.72 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 28.0 tt0 -45.29 -36.66 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.549 HD11 ' CD2' ' A' ' 95' ' ' PHE . 26.3 tp -67.69 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.551 HG23 HD21 ' A' ' 63' ' ' LEU . 99.9 m -43.23 -45.19 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -49.94 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -53.59 -51.97 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 115' ' ' LEU . 91.9 t -47.5 -55.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 94.2 mt-30 -54.75 -56.25 21.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.61 -62.84 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -55.6 -37.43 68.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 120' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' HG2' ' A' ' 74' ' ' LYS . 62.1 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' HB2' HG12 ' A' ' 73' ' ' VAL . 16.6 mt-10 -72.45 144.59 48.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -98.91 111.81 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 29' ' ' PHE . 85.2 t -98.94 118.05 44.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.48 34.99 3.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 p -168.69 135.63 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -48.5 73.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.51 -41.02 63.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.82 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CE1' HG21 ' A' ' 43' ' ' VAL . 21.5 t80 -62.29 -57.47 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.68 -37.17 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.36 -51.9 46.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD23 HD11 ' A' ' 41' ' ' LEU . 4.7 tp -52.56 -47.19 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.783 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.6 mt -34.34 -44.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.89 -43.55 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.2 mp -60.58 -61.76 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB2' HD13 ' A' ' 41' ' ' LEU . 62.2 mmtt -87.79 38.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.45 -52.04 13.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -48.71 -43.4 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -88.27 171.53 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.6 tp -84.48 123.44 30.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.668 HD11 HD23 ' A' ' 32' ' ' LEU . 7.4 tp -100.1 141.27 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.79 102.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.529 HG21 ' CE1' ' A' ' 29' ' ' PHE . 84.5 t -83.68 118.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -108.27 117.31 33.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.711 ' HB3' HG12 ' A' ' 92' ' ' VAL . 10.9 m-85 -76.88 120.55 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.464 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 25.2 p-90 -124.3 129.92 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -121.18 139.45 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.528 0.68 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.09 6.39 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.8 p-90 -117.5 5.78 12.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.56 113.63 38.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.2 18.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' ALA . 5.1 mp0 -72.84 -44.61 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -38.45 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -64.03 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.672 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.1 mm100 -46.45 -52.67 12.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 11.2 mmt -63.69 -46.32 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -43.71 -60.48 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.1 -52.49 63.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' GLN . 60.0 t -49.72 -44.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.5 mtp -59.0 -60.81 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.96 -54.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.68 -34.39 62.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.625 HD13 HG21 ' A' ' 119' ' ' VAL . 84.5 mt -74.69 -49.03 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -38.99 -54.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -53.8 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -43.36 -49.06 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD1' HG12 ' A' ' 119' ' ' VAL . 18.9 mt -110.98 92.74 15.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.5 Cg_endo -69.79 -15.49 37.0 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -93.37 18.39 9.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' SER . 95.2 t -125.2 155.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.666 ' HB3' HD12 ' A' ' 41' ' ' LEU . 2.2 t -122.95 117.98 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.5 m-85 -106.32 114.03 27.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 21' ' ' GLU . 16.1 m -123.07 130.74 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HG2' HG12 ' A' ' 20' ' ' VAL . 7.6 ptmt -109.32 133.93 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.551 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.5 tt -122.93 145.36 48.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.78 108.59 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.69 -55.84 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.64 -27.32 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.23 61.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -130.54 83.02 63.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.78 37.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.15 -50.82 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.4 -45.46 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 14.3 m -55.84 -41.02 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.5 -59.3 5.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -44.18 -59.01 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.63 -14.57 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 84' ' ' SER . 45.0 mt-10 64.7 37.04 7.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.95 HD12 HG21 ' A' ' 94' ' ' THR . 5.3 mm -69.84 94.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -114.29 43.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 p -166.56 124.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 45' ' ' PHE . 3.7 m -127.0 154.15 76.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.717 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.72 165.05 77.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.36 -0.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.95 HG21 HD12 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -131.88 156.09 46.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -141.04 110.19 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 84.5 mt -114.72 104.5 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -82.22 112.16 18.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -108.66 123.24 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -109.57 94.31 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.21 40.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.783 ' HA ' HD22 ' A' ' 33' ' ' LEU . 4.3 t 72.05 28.34 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -142.36 111.16 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -59.3 127.77 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 105' ' ' ASP . 47.3 pt -119.45 -37.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.504 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 14.6 t0 -137.21 170.27 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -162.16 145.03 11.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.771 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.2 tt -126.64 113.7 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 22.7 t0 -98.42 124.56 43.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.74 154.71 13.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.12 82.44 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 91.2 m-70 -108.35 118.02 35.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.753 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.58 -58.49 8.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.554 0.692 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.71 -49.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.1 tt0 -50.61 -42.26 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 119' ' ' VAL . 52.2 tp -55.87 -61.29 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 77.5 m -48.42 -47.37 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -49.29 -53.46 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.771 ' HD2' HD12 ' A' ' 107' ' ' LEU . 49.2 mttm -65.28 -45.55 84.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 63' ' ' LEU . 90.0 t -53.17 -59.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -57.99 -51.93 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -44.03 -59.11 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 57.8 m-70 -64.9 -53.21 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.792 0.329 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -74.4 150.65 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 105.31 15.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG11 ' HB2' ' A' ' 29' ' ' PHE . 94.6 t -91.81 118.67 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.7 27.56 5.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.4 p -165.58 147.68 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -30.27 71.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.23 -34.56 75.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' NE2' HG22 ' A' ' 23' ' ' VAL . 17.1 tt0 -69.62 -38.43 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -77.48 -52.63 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HA ' HD12 ' A' ' 33' ' ' LEU . 19.0 mt-10 -52.3 -39.86 61.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 10.1 pt-20 -73.84 -43.74 57.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.671 ' CD2' HG11 ' A' ' 73' ' ' VAL . 4.0 tp -63.25 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.598 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 10.5 mt -63.75 -27.97 69.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -81.08 -46.91 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -67.92 -53.64 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -85.93 35.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -81.98 -48.93 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 39' ' ' SER . 20.5 pttt -58.83 -32.36 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 50.2 m -92.37 165.36 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD13 ' HZ2' ' A' ' 99' ' ' LYS . 43.4 tp -78.41 107.07 10.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 tp -94.13 130.32 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.93 102.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 29' ' ' PHE . 98.5 t -83.45 105.42 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CG ' ' SD ' ' A' ' 60' ' ' MET . 12.9 t-80 -97.8 129.86 44.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.645 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 14.1 m-85 -87.35 128.1 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.502 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 17.8 p-90 -126.55 137.02 53.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -129.93 147.91 67.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.69 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.27 29.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 14.4 p-90 -88.28 -53.24 4.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -58.15 112.63 5.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -45.55 -51.73 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.9 m -43.99 -30.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.94 -51.12 62.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -65.08 -57.63 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 56' ' ' MET . 16.1 mmt -39.89 -35.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -56.94 -65.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.56 -37.25 57.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.06 -35.93 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.501 ' SD ' ' CG ' ' A' ' 44' ' ' HIS . 83.8 mtp -72.27 -50.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.82 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -52.16 -32.78 37.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.6 mt -75.49 -36.97 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.476 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -49.71 -57.92 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.4 -42.25 31.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 8.8 mt -115.63 90.13 25.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.71 -16.62 37.85 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.683 2.255 . . . . 0.0 112.315 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -93.23 19.03 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.0 t -130.49 138.81 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.9 m -104.46 115.67 30.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -103.22 112.96 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.671 HG11 ' CD2' ' A' ' 32' ' ' LEU . 23.1 m -123.6 131.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.502 ' HE3' ' CD1' ' A' ' 46' ' ' TRP . 10.5 ptmt -114.17 137.75 51.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.629 HD11 ' HB ' ' A' ' 80' ' ' VAL . 4.1 tt -125.16 146.75 49.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 79' ' ' GLY . 37.9 tt0 -88.25 104.13 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.645 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -43.87 -37.89 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -82.01 -23.94 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -78.93 -41.56 14.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.629 ' HB ' HD11 ' A' ' 75' ' ' LEU . 44.6 t -121.09 82.11 36.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -22.33 32.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.76 -54.79 43.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.96 -46.94 90.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . 37.7 m -52.62 -40.3 62.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.38 -59.34 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -43.31 -60.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -76.03 -13.17 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 39.9 mt-10 63.31 37.3 11.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.962 HD12 HG21 ' A' ' 94' ' ' THR . 12.2 mm -70.5 98.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 t -120.55 39.51 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -162.66 129.09 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 45' ' ' PHE . 2.7 m -129.58 154.56 80.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.77 165.06 77.65 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.732 -1.779 . . . . 0.0 112.328 0.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.962 HG21 HD12 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -133.41 153.78 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -140.96 110.05 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -113.4 104.95 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.07 103.16 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -97.07 119.51 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HZ2' HD13 ' A' ' 40' ' ' LEU . 11.6 tptt -120.08 98.59 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.549 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 4.0 t-20 72.18 47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 m 60.12 32.9 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.25 125.43 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -69.46 121.84 17.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 28.7 pt -116.82 -28.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.598 ' CG ' ' CE1' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -142.42 160.75 39.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -161.59 133.2 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.6 tt -117.77 110.49 17.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -95.62 125.59 40.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.46 150.08 12.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.09 87.3 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 65.5 m80 -115.21 111.24 20.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -59.5 9.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.78 -49.76 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.342 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 4.4 tp10 -50.29 -35.0 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 119' ' ' VAL . 51.3 tp -64.77 -61.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.1 m -45.16 -54.49 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -41.99 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.629 ' HD2' HD12 ' A' ' 107' ' ' LEU . 33.6 mttp -55.6 -55.42 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 115' ' ' LEU . 65.3 t -45.8 -60.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -53.14 -56.45 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -42.78 -63.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.598 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 45.5 m-70 -57.28 -54.43 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.6 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -79.16 149.04 32.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.42 129.13 43.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 29' ' ' PHE . 86.6 t -104.66 103.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.01 36.72 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 p -174.3 139.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.69 92.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.84 74.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.78 -51.66 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 43' ' ' VAL . 24.2 t80 -62.26 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 33' ' ' LEU . 57.6 mt-10 -44.2 -36.44 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -75.27 -55.28 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.719 HD23 HD11 ' A' ' 41' ' ' LEU . 2.4 tp -52.04 -26.69 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 30' ' ' GLU . 13.5 mt -54.01 -43.33 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 10.8 ptt180 -79.8 -43.68 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.5 mt -56.15 -56.94 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB2' HD13 ' A' ' 41' ' ' LEU . 70.5 mmtt -92.92 40.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -42.66 59.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.92 -47.77 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -83.29 169.31 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 123' ' ' ALA . 57.8 tp -81.79 124.88 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.719 HD11 HD23 ' A' ' 32' ' ' LEU . 8.3 tp -99.28 141.15 32.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -131.26 103.17 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 29' ' ' PHE . 91.0 t -93.31 107.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.493 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 9.9 t-80 -100.28 125.21 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.753 ' HB3' HG12 ' A' ' 92' ' ' VAL . 14.1 m-85 -82.93 111.79 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -115.98 147.09 41.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.547 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -128.92 142.02 43.68 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.547 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 17.9 p-90 -119.1 -47.29 2.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 119.17 29.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.78 -30.42 22.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' ALA . 11.5 mt-30 -46.12 -55.18 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -40.46 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -48.5 -69.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.94 -51.87 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' ASN . 18.1 mmt -44.78 -63.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' MET . 27.1 t30 -34.36 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.41 -55.77 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -46.11 -45.74 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.59 -63.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.97 -43.8 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.12 -40.32 97.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 60.3 mt -70.66 -42.94 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 72' ' ' PHE . . . -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -45.69 -40.58 9.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.62 94.62 42.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.25 37.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.12 16.14 11.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.98 137.51 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.594 ' HB3' HD12 ' A' ' 41' ' ' LEU . 18.0 t -101.08 116.15 32.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 90.2 m-85 -104.58 117.83 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 32' ' ' LEU . 34.6 m -127.08 139.45 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.8 113.77 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.5 tt -106.65 140.03 40.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -49.16 -45.81 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.65 -26.32 50.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.19 -40.42 55.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.0 t -128.57 82.14 69.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.35 37.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -57.34 -52.11 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.07 -45.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.8 m -49.11 -37.6 22.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.71 -58.71 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -41.17 -61.87 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 98.1 m-85 -80.03 -13.35 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 84' ' ' SER . 30.1 mt-10 63.44 45.88 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 45' ' ' PHE . 29.6 mm -81.29 92.07 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.8 p -110.25 38.93 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.2 p -158.5 141.78 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.753 HG12 ' HB3' ' A' ' 45' ' ' PHE . 29.5 m -145.07 151.25 48.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.5 Cg_endo -69.77 164.91 78.04 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.378 -0.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.469 HG21 HD12 ' A' ' 89' ' ' ILE . 85.5 m -160.9 115.72 2.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 53.5 m-85 -98.09 145.63 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.9 mt -134.15 108.78 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -79.0 125.91 30.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -123.2 123.23 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -122.24 100.31 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 74.85 39.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 t 66.99 34.1 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -147.31 126.03 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -68.42 119.81 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 22.9 pt -106.87 -29.71 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -145.93 173.08 12.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -157.84 142.91 16.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -130.03 117.64 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -103.26 140.1 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.27 156.93 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.71 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.23 106.89 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.087 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 64.7 m80 -128.27 115.42 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.757 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.18 -58.64 5.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.552 0.692 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.757 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.79 -45.88 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 9.6 tt0 -54.06 -47.21 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.948 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.6 tp -57.55 -54.34 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.3 m -55.05 -51.32 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -47.08 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -57.69 -47.41 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 115' ' ' LEU . 85.8 t -50.36 -54.76 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.97 -49.38 77.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -52.42 -62.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 123' ' ' ALA . 64.5 m-70 -59.62 -46.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.453 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.807 0.337 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.61 127.46 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.97 103.84 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.521 HG13 ' HB3' ' A' ' 28' ' ' GLN . 61.4 t -53.27 116.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.24 -36.44 55.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 p -160.91 172.27 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.12 -46.56 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 -45.91 48.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.521 ' HB3' HG13 ' A' ' 23' ' ' VAL . 21.4 tt0 -59.51 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CE1' HG21 ' A' ' 43' ' ' VAL . 32.4 t80 -68.18 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 33' ' ' LEU . 8.3 mm-40 -42.74 -41.63 3.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.05 -53.78 34.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.781 HD23 HD11 ' A' ' 41' ' ' LEU . 4.5 tp -49.9 -44.75 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 101' ' ' SER . 15.7 mt -40.31 -43.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -73.28 -53.97 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 mt -53.99 -62.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -83.09 39.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.44 -47.02 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -58.86 -47.34 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -80.87 175.86 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 122' ' ' HIS . 26.2 tp -89.72 135.52 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 32' ' ' LEU . 6.9 tp -112.71 141.49 46.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.77 104.65 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 29' ' ' PHE . 93.8 t -94.57 98.43 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -93.48 121.34 34.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.764 ' HB3' HG12 ' A' ' 92' ' ' VAL . 17.8 m-85 -80.44 110.62 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 35.8 p-90 -110.53 146.9 35.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.606 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -132.57 143.12 47.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.26 9.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.379 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.606 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 69.7 p-90 -109.94 -45.2 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . . . -60.87 111.32 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 50' ' ' ALA . 53.8 Cg_endo -69.73 -10.56 28.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -66.72 -50.1 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 11.8 t -38.98 -33.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.78 -70.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.64 ' O ' HG23 ' A' ' 59' ' ' VAL . 24.9 pt20 -70.78 -52.05 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.441 ' SD ' ' HB1' ' A' ' 110' ' ' ALA . 28.4 mmm -43.21 -26.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -74.21 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -28.19 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 55' ' ' GLN . 89.1 t -65.73 -38.51 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 mtm -73.46 -39.97 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.89 -52.34 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.89 -40.75 85.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.36 -37.81 83.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.67 -57.16 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -44.56 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -51.8 -43.88 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -116.28 94.45 42.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.95 37.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -90.41 17.91 6.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 71' ' ' SER . 53.2 t -125.95 156.81 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.611 ' HB2' HD12 ' A' ' 41' ' ' LEU . 20.2 m -125.17 103.39 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 79.0 m-85 -92.31 115.36 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.3 124.45 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -103.5 123.49 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.8 tt -115.85 136.09 53.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 79' ' ' GLY . 0.9 OUTLIER -84.85 107.81 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.16 -52.08 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.06 -25.13 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OE1' ' A' ' 76' ' ' GLU . . . -74.3 -61.41 3.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.1 t -107.92 81.41 1.21 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.181 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.12 19.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -44.66 -40.35 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.27 -51.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 88' ' ' GLU . 50.0 m -44.96 -39.93 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -58.6 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 9.1 tttp -38.86 -62.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 88.3 m-85 -79.71 -14.21 58.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' SER . 57.5 mt-10 64.32 47.23 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.628 HG21 ' CD2' ' A' ' 45' ' ' PHE . 26.4 mm -82.63 93.14 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.2 p -108.81 39.26 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -158.01 139.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 45' ' ' PHE . 32.7 m -145.15 151.03 47.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.8 Cg_endo -69.78 164.07 80.25 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.298 -0.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.564 HG21 HD12 ' A' ' 89' ' ' ILE . 16.0 m -161.09 113.45 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 24.9 m-85 -93.72 142.38 27.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.44 HD12 ' HE1' ' A' ' 45' ' ' PHE . 15.8 mt -129.64 110.32 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -81.26 115.85 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -117.83 111.7 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -115.77 107.43 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 72.39 41.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.416 ' HA ' HD22 ' A' ' 33' ' ' LEU . 16.4 p 58.87 29.88 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -145.01 110.51 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.431 ' HD2' HD22 ' A' ' 96' ' ' LEU . 16.3 ttpp -55.05 128.09 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 105' ' ' ASP . 40.0 pt -115.78 -34.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 104' ' ' ILE . 10.2 t70 -144.63 171.39 14.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 31.6 ttt180 -160.42 145.16 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.4 tt -125.79 118.25 25.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -102.97 137.18 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.11 140.06 9.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.692 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -66.14 97.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 70.8 m-70 -121.08 113.6 20.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.71 -58.2 8.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.68 -51.18 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.0 tp10 -49.58 -44.65 47.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 119' ' ' VAL . 64.5 tp -53.37 -58.44 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 96.7 m -49.38 -44.2 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -47.4 -61.8 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.534 ' HD2' HD12 ' A' ' 107' ' ' LEU . 33.9 mttp -61.41 -43.99 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.773 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 87.0 t -52.54 -43.84 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -66.34 -48.3 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -60.22 -59.11 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.497 ' C ' HD22 ' A' ' 40' ' ' LEU . 59.5 m-70 -63.43 -39.03 93.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 119' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.44 146.35 23.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -98.03 106.07 18.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.623 HG13 ' HB3' ' A' ' 28' ' ' GLN . 69.3 t -89.58 99.55 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.46 37.07 4.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.0 p -173.67 144.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -61.77 -38.92 89.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.77 -43.39 91.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.623 ' HB3' HG13 ' A' ' 23' ' ' VAL . 11.6 tt0 -59.54 -50.69 72.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.8 t80 -66.26 -63.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.643 ' HA ' HD12 ' A' ' 33' ' ' LEU . 36.2 mt-10 -46.2 -39.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -70.74 -55.73 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.443 HD23 HD11 ' A' ' 41' ' ' LEU . 5.1 tp -51.12 -35.52 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 30' ' ' GLU . 15.8 mt -46.45 -36.44 6.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 9.2 ptp180 -80.81 -43.17 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 58.5 mt -60.32 -57.1 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB2' HD13 ' A' ' 41' ' ' LEU . 54.3 mmtt -91.77 39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.73 -58.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -45.17 -46.38 12.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -83.92 173.83 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.5 tp -86.36 133.42 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 36' ' ' LYS . 10.9 tp -109.19 141.37 41.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t -128.17 105.81 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 29' ' ' PHE . 88.0 t -95.85 102.39 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -93.77 132.45 38.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.755 ' HB3' HG12 ' A' ' 92' ' ' VAL . 9.2 m-85 -92.29 122.26 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.533 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.4 p-90 -124.21 132.94 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.541 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -112.46 147.5 37.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 111.125 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.02 3.88 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.541 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 34.6 p-90 -119.79 -54.33 2.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -50.24 107.64 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.513 0.673 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.95 3.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -75.82 -54.31 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.5 p -42.71 -24.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.0 -70.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG3' ' SD ' ' A' ' 56' ' ' MET . 23.5 pt20 -67.28 -52.23 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 27.0 mmm -42.3 -40.26 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -62.73 -46.87 86.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.21 -43.09 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.11 -43.84 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.3 mtp -58.21 -55.65 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.46 -50.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -64.83 -37.02 86.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' MET . 43.2 mt -66.2 -43.13 87.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.44 -53.67 21.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -66.67 -45.28 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -53.21 -46.31 69.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 39.8 mt -112.73 94.12 27.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.7 -15.52 37.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -98.42 27.26 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 72.0 t -129.94 151.93 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.8 m -117.99 108.69 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.441 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 80.8 m-85 -100.33 125.41 46.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -137.25 128.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -108.8 126.92 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.545 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.9 tt -121.1 141.97 50.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 10.2 tt0 -85.61 113.5 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -48.19 -46.59 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.09 -27.73 61.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.13 -48.0 34.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.527 ' HB ' HD11 ' A' ' 75' ' ' LEU . 82.0 t -116.47 85.59 16.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -27.47 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.719 2.28 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 12.4 tt0 -53.38 -54.72 32.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.88 -46.62 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 m -53.42 -36.65 61.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.61 -56.27 13.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' HD3' ' CE2' ' A' ' 87' ' ' TYR . 20.5 tttm -45.57 -60.24 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 95.2 m-85 -77.73 -12.45 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 62.4 45.2 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 94' ' ' THR . 26.3 mm -79.27 87.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -104.68 39.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.7 p -161.54 142.0 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.755 HG12 ' HB3' ' A' ' 45' ' ' PHE . 31.3 m -145.14 151.36 48.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.843 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.8 Cg_endo -69.75 165.1 77.47 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.379 -0.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.754 HG21 HD12 ' A' ' 89' ' ' ILE . 13.4 m -159.66 119.0 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -100.11 145.18 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.1 mt -132.0 105.07 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 98.3 m-85 -79.0 126.18 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.13 130.4 53.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -123.47 103.98 8.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.0 41.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m 66.98 31.55 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -148.41 118.84 7.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.03 117.53 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.1 pt -104.71 -32.89 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 104' ' ' ILE . 6.8 t70 -141.79 172.7 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 17.7 ttt180 -162.27 143.1 10.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.887 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.5 tt -127.45 118.11 23.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.74 137.92 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.21 143.88 11.1 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -68.13 102.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 68.8 m80 -125.47 113.67 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.52 -59.04 6.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.77 -46.71 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.8 tp10 -54.84 -42.55 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 21.0 tp -58.21 -59.39 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.4 m -44.26 -43.29 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -52.68 -59.88 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.887 ' HD2' HD12 ' A' ' 107' ' ' LEU . 35.8 mttp -59.97 -44.0 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.4 t -55.12 -62.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -60.28 -45.47 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -53.6 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 123' ' ' ALA . 72.4 m-70 -60.85 -45.76 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.444 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 ' HD3' ' A' ' 74' ' ' LYS . 98.2 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -87.25 127.71 35.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.22 115.2 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.81 HG13 ' HB3' ' A' ' 28' ' ' GLN . 87.3 t -101.84 90.36 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' C ' ' CG2' ' A' ' 80' ' ' VAL . . . -101.58 37.43 3.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.647 ' N ' HG21 ' A' ' 80' ' ' VAL . 42.0 p -173.52 139.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.42 -56.07 15.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.18 -45.86 8.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.81 ' HB3' HG13 ' A' ' 23' ' ' VAL . 31.8 tt0 -51.24 -54.78 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.586 ' HB2' HG11 ' A' ' 23' ' ' VAL . 40.0 t80 -66.02 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -44.37 -41.15 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.36 -55.0 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 41' ' ' LEU . 5.3 tp -53.09 -50.28 64.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.505 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.8 mt -34.35 -34.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LEU . 73.1 mtt180 -79.25 -60.16 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -50.62 -50.5 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HB2' HD13 ' A' ' 41' ' ' LEU . 31.9 mmtp -88.95 40.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.35 19.7 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -122.05 -49.44 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -88.24 163.5 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.8 tp -68.21 111.78 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.881 HD12 ' HB3' ' A' ' 71' ' ' SER . 8.2 tp -91.84 135.73 33.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -125.94 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 29' ' ' PHE . 87.8 t -97.92 109.9 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.449 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 8.4 t-80 -98.6 134.08 42.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' HE1' HD12 ' A' ' 96' ' ' LEU . 12.3 m-85 -93.06 115.52 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.9 p-90 -114.8 139.82 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -128.26 142.0 43.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.4 36.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.496 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 51.4 p-90 -91.7 -34.86 14.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -82.23 112.27 34.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -8.68 24.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' ALA . 72.7 mt-30 -69.21 -53.64 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -38.8 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -60.01 -69.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -52.11 -37.73 55.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.1 mmt -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -56.12 -57.52 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 4.0 pt-20 -55.17 -31.79 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 55' ' ' GLN . 79.3 t -68.38 -40.15 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.449 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 82.3 mtp -61.02 -58.94 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.05 -60.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.79 -40.34 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -35.45 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 -60.15 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -62.54 -48.65 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.9 -42.36 59.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.2 mt -114.35 90.72 21.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -21.69 33.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.52 21.12 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 71' ' ' SER . 69.8 t -130.45 154.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.881 ' HB3' HD12 ' A' ' 41' ' ' LEU . 10.4 t -120.15 116.83 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -102.58 114.4 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG2' HG22 ' A' ' 43' ' ' VAL . 28.7 m -128.53 123.6 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HD3' HG11 ' A' ' 20' ' ' VAL . 50.9 pttt -99.79 130.67 46.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 75' ' ' LEU . 8.8 tt -112.69 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 79' ' ' GLY . 58.1 tt0 -82.92 103.35 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.03 -39.14 59.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -96.74 22.05 8.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 76' ' ' GLU . . . -123.94 -36.0 0.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.647 HG21 ' N ' ' A' ' 25' ' ' SER . 60.8 t -129.04 77.76 77.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -6.9 19.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.18 -32.29 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.02 -39.45 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 72.1 m -56.75 -32.07 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 86' ' ' LYS . 16.6 pt-20 -68.48 -47.85 66.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 39.5 tttp -52.82 -57.53 9.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -81.83 -11.43 58.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 62.25 44.64 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.576 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 28.7 mm -81.19 85.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -107.46 38.97 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -156.6 138.48 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.543 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 17.0 m -145.28 150.45 44.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.78 160.71 87.63 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 m -161.19 118.12 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 115' ' ' LEU . 27.4 m-85 -97.2 152.1 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.599 HD12 ' HE1' ' A' ' 45' ' ' PHE . 25.5 mt -135.08 105.5 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -82.75 119.23 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -115.44 137.24 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -125.54 93.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 70.8 49.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.505 ' HA ' HD22 ' A' ' 33' ' ' LEU . 24.4 m 62.72 36.53 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -150.95 112.59 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -59.05 116.27 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.5 pt -105.73 -34.19 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.457 ' N ' HG13 ' A' ' 104' ' ' ILE . 21.5 t70 -141.69 171.77 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 18.6 ttt180 -163.11 148.83 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.5 tt -133.81 122.21 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.504 ' N ' HD23 ' A' ' 107' ' ' LEU . 7.8 p30 -109.11 135.52 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.55 166.01 26.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.58 88.38 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 32.5 m80 -115.81 113.76 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.55 -57.9 6.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.73 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -48.64 -46.07 39.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.947 ' O ' HG23 ' A' ' 119' ' ' VAL . 35.2 tp -54.47 -55.0 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 -49.99 75.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -48.61 -54.19 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.531 ' HD2' HD12 ' A' ' 107' ' ' LEU . 34.9 mttm -61.71 -47.75 83.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 115' ' ' LEU . 59.2 t -52.16 -53.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -66.99 -39.55 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -49.31 -61.22 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 83.5 m-70 -67.62 -51.3 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.564 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 72' ' ' PHE . 7.5 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -95.7 156.75 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -108.21 140.26 41.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.88 117.58 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.6 21.7 10.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.7 p -163.39 138.78 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -59.71 -33.78 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.05 -40.09 96.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.41 -52.31 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.354 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.38 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 33' ' ' LEU . 43.8 mt-10 -50.22 -37.32 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -56.91 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 7.8 tp -50.97 -44.66 60.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 19.1 mt -35.21 -40.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -77.02 -41.71 41.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . 36.2 mt -63.98 -55.85 19.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -95.52 39.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -74.93 -46.89 32.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.9 p -80.31 174.76 11.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD13 ' HE2' ' A' ' 99' ' ' LYS . 57.6 tp -92.03 119.07 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 71' ' ' SER . 13.1 tp -98.45 147.95 24.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.97 107.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.81 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -95.5 128.8 42.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.737 ' HB3' HG12 ' A' ' 92' ' ' VAL . 17.7 m-85 -89.62 112.28 23.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -120.6 137.22 54.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -130.66 142.57 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.5 14.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.673 2.248 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.542 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 48.0 p-90 -107.94 6.95 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.12 123.17 26.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.449 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 54.3 Cg_endo -69.75 -36.36 10.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.95 -48.15 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.4 m -52.99 -16.07 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 51' ' ' PRO . . . -64.04 -64.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.2 pt20 -62.34 -41.37 98.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 mmt -51.59 -45.87 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -59.1 -45.28 91.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 29.2 mt-10 -65.17 -48.16 74.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' GLN . 69.5 t -48.9 -49.14 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 mtm -59.18 -41.43 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 58' ' ' GLU . . . -43.84 -50.06 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.29 -47.26 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.04 -43.14 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.68 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -72.48 -42.72 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.35 -42.24 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.04 95.8 43.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.611 0.719 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -43.85 2.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -56.92 -26.48 59.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.4 t -85.02 125.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.1 m -99.3 101.27 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 20' ' ' VAL . 73.9 m-85 -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 73' ' ' VAL . 27.1 m -117.3 124.33 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -106.03 123.99 48.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 80' ' ' VAL . 2.8 tt -121.66 144.28 48.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.25 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.35 -51.83 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.13 -27.62 64.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.37 -44.84 57.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.631 ' HB ' HD11 ' A' ' 75' ' ' LEU . 45.2 t -127.42 83.91 64.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 111.173 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -23.98 30.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 11.3 tp10 -50.93 -54.21 26.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.77 -48.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.0 m -47.98 -40.0 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.93 -54.96 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -42.49 -62.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.26 -13.91 59.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' SER . 29.8 mt-10 65.95 43.8 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.604 HD11 HD11 ' A' ' 96' ' ' LEU . 31.3 mm -77.99 84.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -103.87 39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -160.08 140.63 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' A' ' 45' ' ' PHE . 23.1 m -144.99 151.61 49.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 111.061 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.3 Cg_endo -69.78 165.04 77.74 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.286 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 HD12 ' A' ' 89' ' ' ILE . 58.6 m -160.85 120.12 2.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.32 143.19 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.604 HD11 HD11 ' A' ' 89' ' ' ILE . 27.4 mt -133.48 111.09 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.12 127.03 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -124.44 118.08 25.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HE2' HD13 ' A' ' 40' ' ' LEU . 18.7 mmtt -118.22 119.34 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.488 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 28.0 t30 59.55 32.22 21.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 102' ' ' GLN . 9.9 t 69.32 45.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 101' ' ' SER . 17.2 mt-30 -161.07 112.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.491 ' HD2' HD22 ' A' ' 96' ' ' LEU . 37.3 ttpt -55.05 131.59 45.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 105' ' ' ASP . 9.2 pt -127.47 -28.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.468 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.8 t70 -137.95 165.06 27.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -160.15 139.8 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.0 tt -123.76 120.11 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.433 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.8 m-20 -111.22 129.57 55.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.55 127.0 5.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.9 102.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 43.2 m80 -130.02 113.75 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.65 -58.39 5.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.0 Cg_endo -69.81 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 6.3 tp10 -48.9 -46.39 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 119' ' ' VAL . 47.1 tp -53.4 -57.02 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.409 HG22 ' CD ' ' A' ' 120' ' ' GLN . 66.1 m -50.45 -57.03 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -42.06 -61.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.76 -53.44 55.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 115' ' ' LEU . 90.0 t -46.57 -52.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.409 ' CD ' HG22 ' A' ' 116' ' ' THR . 58.7 mt-30 -63.38 -52.54 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -41.21 -51.11 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.447 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 89.2 m-70 -74.87 -49.28 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.452 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.34 142.35 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -99.65 109.46 21.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 29' ' ' PHE . 87.1 t -97.7 108.94 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.68 34.79 5.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.491 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 84.3 p -171.34 146.77 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.94 95.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.587 ' HB3' HG13 ' A' ' 23' ' ' VAL . 14.7 tt0 -63.24 -51.54 65.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.3 t80 -58.34 -62.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -48.11 -38.72 18.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 41' ' ' LEU . 2.5 tp -45.43 -47.92 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD23 HD22 ' A' ' 41' ' ' LEU . 14.9 mt -42.15 -35.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -68.39 -56.39 8.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 35' ' ' LEU . 3.8 mm? -59.44 -51.14 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' HD13 ' A' ' 41' ' ' LEU . 48.4 mmtt -89.2 36.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.15 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -76.68 -27.19 55.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 m -91.51 148.21 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 123' ' ' ALA . 37.7 tp -67.66 117.01 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.651 HD11 HD23 ' A' ' 32' ' ' LEU . 7.6 tp -98.34 144.18 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.7 t -136.93 105.43 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.581 HG21 ' CE1' ' A' ' 29' ' ' PHE . 94.2 t -90.94 111.57 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -97.64 128.41 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CG ' HG21 ' A' ' 89' ' ' ILE . 24.5 m-85 -91.58 110.05 21.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -111.33 142.51 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -124.35 143.92 44.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.491 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 13.6 p-90 -110.66 -60.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 107.68 0.65 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -82.69 -49.16 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 p -47.93 -19.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.05 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.4 pt20 -58.74 -42.71 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.9 mmt -54.97 -29.31 56.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.87 -63.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -49.8 -39.45 38.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 55' ' ' GLN . 92.7 t -59.63 -40.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.3 mtp -59.02 -62.18 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.75 -51.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.1 -39.67 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' MET . 77.3 mt -69.72 -42.78 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -41.08 -61.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -65.64 -44.42 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.39 -36.11 41.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' CD1' HG12 ' A' ' 119' ' ' VAL . 16.6 mt -125.41 92.85 46.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.4 Cg_endo -69.8 -15.48 36.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -95.37 20.19 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 71' ' ' SER . 95.7 t -126.15 156.4 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.493 ' HB2' HD12 ' A' ' 41' ' ' LEU . 50.6 m -122.42 111.35 16.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -100.91 122.44 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.461 HG11 ' CD2' ' A' ' 32' ' ' LEU . 35.3 m -135.05 125.1 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.13 134.41 44.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.598 ' C ' HD23 ' A' ' 75' ' ' LEU . 6.2 tt -123.54 132.91 54.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLY . 31.9 tt0 -80.09 107.75 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.58 -42.5 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.68 -19.81 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -77.55 -55.39 4.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 25' ' ' SER . 69.6 t -114.01 82.04 6.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.02 28.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.6 -54.16 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.23 -45.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.0 m -44.89 -43.17 8.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.81 -59.93 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 7.2 tmtm? -39.07 -61.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 95.1 m-85 -79.59 -12.65 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 84' ' ' SER . 33.1 mt-10 63.9 41.52 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.79 HD12 HG21 ' A' ' 94' ' ' THR . 38.6 mm -81.77 85.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -109.39 39.47 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.57 151.31 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 30.9 m -145.79 151.51 46.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.76 165.16 77.36 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.33 -0.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.79 HG21 HD12 ' A' ' 89' ' ' ILE . 61.3 m -160.83 122.18 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.484 ' CD2' HD11 ' A' ' 115' ' ' LEU . 30.8 m-85 -109.88 149.97 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.43 HD11 HD11 ' A' ' 89' ' ' ILE . 28.0 mt -137.53 106.24 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -80.41 126.27 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -122.09 124.65 44.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -119.29 102.29 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.0 t30 72.93 32.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t 74.34 34.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -148.39 121.84 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -64.28 128.94 37.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 29.7 pt -124.65 -24.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -146.42 168.24 21.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 12.2 ttt180 -162.89 145.86 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.681 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.9 tt -130.54 113.21 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.78 117.64 34.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.437 ' C ' ' HG2' ' A' ' 93' ' ' PRO . . . 123.08 151.91 8.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.73 84.33 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.7 m-70 -116.19 113.56 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -66.81 -59.16 8.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.83 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 13.9 tp10 -46.67 -39.08 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 119' ' ' VAL . 31.2 tp -65.47 -57.27 8.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.9 m -47.99 -56.4 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -44.29 -57.26 3.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.681 ' HD2' HD12 ' A' ' 107' ' ' LEU . 50.2 mttm -56.78 -48.6 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 115' ' ' LEU . 64.1 t -53.7 -46.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -66.57 -51.54 55.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -47.01 -58.55 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 123' ' ' ALA . 79.1 m-70 -66.5 -44.38 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 119' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.855 0.359 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' HB2' HG12 ' A' ' 73' ' ' VAL . 4.7 mm-40 -96.7 135.11 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -94.34 126.73 39.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 28' ' ' GLN . 9.5 t -92.73 129.59 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.16 -21.11 18.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.4 p -166.41 164.01 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.11 -25.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.87 -51.89 56.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.903 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -60.67 -47.27 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.921 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 43' ' ' VAL . 37.5 t80 -66.34 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.55 -25.65 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -48.66 9.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.667 HD23 HD11 ' A' ' 41' ' ' LEU . 1.5 tp -61.37 -16.7 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.7 mt -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -80.89 -39.79 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.38 -52.38 65.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HB2' HD13 ' A' ' 41' ' ' LEU . 40.1 mmtt -96.11 26.45 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.46 69.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -78.36 158.83 28.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 123' ' ' ALA . 26.5 tp -79.1 115.55 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.667 HD11 HD23 ' A' ' 32' ' ' LEU . 9.3 tp -95.85 141.27 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -132.14 104.22 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 29' ' ' PHE . 24.7 t -85.98 128.06 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 3.6 t-80 -118.85 126.08 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' HB3' HG12 ' A' ' 92' ' ' VAL . 33.7 m-85 -89.72 116.68 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.413 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 35.3 p-90 -124.44 139.88 53.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.624 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -123.12 143.03 39.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -6.21 18.03 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.624 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 46.4 p-90 -105.87 -40.63 5.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.99 114.98 33.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -6.39 18.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.61 -61.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.7 p -38.15 -33.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -70.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.543 ' NE2' ' SD ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -53.31 -31.6 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.543 ' SD ' ' NE2' ' A' ' 55' ' ' GLN . 47.0 mmm -72.29 -34.31 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -59.76 -46.89 87.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.12 -57.19 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.37 -47.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' LEU . 42.0 mtp -49.83 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -35.1 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.47 -45.62 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' MET . 33.5 mt -64.85 -44.87 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.03 -54.9 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -42.2 81.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LEU . 25.1 mt -132.61 88.97 37.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.552 0.692 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.39 7.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -67.08 -5.85 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 83.9 t -104.64 145.48 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -114.62 106.53 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 60.8 m-85 -94.37 131.78 39.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 32' ' ' LEU . 23.9 m -141.38 131.86 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 153.64 20.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 tt -143.08 130.77 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.69 108.02 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.64 -40.32 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.95 -18.9 52.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.3 -60.58 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.45 81.85 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.135 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -25.48 28.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -51.29 -42.68 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 68.9 t -78.79 -54.93 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.7 m -44.96 -43.41 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.8 mt-10 -55.85 -59.69 4.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -36.87 -63.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 59.6 m-85 -78.48 -10.17 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLU . 21.8 mt-10 62.28 42.9 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 96' ' ' LEU . 4.9 mm -77.47 84.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -102.83 40.28 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 m -157.76 136.89 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 45' ' ' PHE . 6.0 m -144.95 153.36 53.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.819 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.6 Cg_endo -69.75 160.53 87.85 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.354 -0.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -159.85 133.46 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -110.94 155.46 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 89' ' ' ILE . 30.6 mt -146.57 107.45 4.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -81.11 123.5 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 72.3 m-85 -116.06 111.68 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' HD13 ' A' ' 104' ' ' ILE . 1.9 tptm -107.0 110.94 23.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.08 40.56 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.3 m 63.38 36.31 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -150.09 114.35 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -56.82 124.49 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 99' ' ' LYS . 49.3 pt -117.82 -29.87 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.436 ' OD2' ' NE2' ' A' ' 122' ' ' HIS . 13.1 t0 -149.44 155.87 41.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.26 141.9 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.556 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.3 tt -115.44 127.59 55.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.414 ' N ' HD23 ' A' ' 107' ' ' LEU . 41.9 t0 -108.8 134.65 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.23 143.09 9.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.819 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -66.31 107.72 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.457 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 94.8 m-70 -134.06 119.87 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.31 -60.02 5.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.697 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.0 tt0 -46.63 -36.17 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 119' ' ' VAL . 44.1 tp -67.89 -58.33 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.2 m -48.27 -46.06 35.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -53.1 -58.84 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 50.4 mttm -57.12 -37.8 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 115' ' ' LEU . 58.0 t -63.01 -50.49 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.62 -49.14 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -47.77 -57.28 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.5 m-70 -69.49 -47.98 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.43 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.826 0.346 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -87.64 150.04 23.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -105.22 113.0 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.758 HG11 ' HB2' ' A' ' 29' ' ' PHE . 61.7 t -99.66 111.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.51 36.52 3.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.1 p -174.19 141.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.86 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.84 -45.33 61.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -58.53 -53.62 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.758 ' HB2' HG11 ' A' ' 23' ' ' VAL . 43.8 t80 -62.2 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.755 ' HA ' HD12 ' A' ' 33' ' ' LEU . 11.4 mm-40 -50.29 -36.96 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 32' ' ' LEU . 4.1 tm-20 -67.94 -50.47 55.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 6.7 tp -56.95 -45.0 83.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 30' ' ' GLU . 7.4 mt -36.32 -44.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -61.62 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.51 -50.9 51.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' CB ' HD13 ' A' ' 41' ' ' LEU . 54.8 mmtt -90.1 40.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.77 -49.48 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -62.72 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 170.6 14.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 123' ' ' ALA . 24.9 tp -89.59 114.85 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 36' ' ' LYS . 12.5 tp -92.03 144.83 25.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.72 107.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 29' ' ' PHE . 91.2 t -91.32 137.09 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.98 126.37 46.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HB3' HG12 ' A' ' 92' ' ' VAL . 21.0 m-85 -90.42 111.85 23.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 76' ' ' GLU . 34.2 p-90 -114.74 134.66 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -114.74 141.62 27.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.555 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 18.1 p-90 -120.17 -43.99 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 111.43 6.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -0.8 7.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -80.28 -44.06 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 29.3 p -52.63 -19.68 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -69.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -52.64 -38.57 60.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 4.7 mmt -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 53' ' ' CYS . 18.6 m-20 -54.32 -42.48 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.57 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.1 -46.91 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 63' ' ' LEU . 78.8 mtp -49.14 -60.75 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.48 -49.97 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -56.84 -32.11 65.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 59.8 mt -79.7 -42.69 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.75 -63.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -62.68 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -52.25 -38.32 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD11 ' NE2' ' A' ' 120' ' ' GLN . 16.5 mt -126.45 91.46 47.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -15.14 36.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -90.08 17.56 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 71' ' ' SER . 90.4 t -128.99 156.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 70' ' ' VAL . 2.1 m -122.0 109.18 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -95.99 112.69 24.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 m -122.51 127.42 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -106.07 135.19 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.2 tt -129.32 136.06 49.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 28.5 tt0 -83.7 114.28 21.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.21 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -69.4 -20.01 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.08 -45.24 10.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 75' ' ' LEU . 52.8 t -120.02 82.59 29.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -27.04 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.69 -51.02 68.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.4 t -71.95 -53.22 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.9 m -45.9 -39.48 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -62.17 -56.62 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -45.15 -58.99 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -78.11 -13.15 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' SER . 46.0 mt-10 62.38 41.58 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.9 mm -77.82 83.69 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.2 t -103.99 39.28 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -158.24 139.09 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.656 HG12 ' HB3' ' A' ' 45' ' ' PHE . 30.9 m -144.92 151.36 48.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.74 161.42 86.17 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.362 -0.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.427 HG21 HD12 ' A' ' 89' ' ' ILE . 16.8 m -160.94 117.6 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.33 151.08 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.562 HD12 ' HE1' ' A' ' 45' ' ' PHE . 18.6 mt -137.84 107.04 6.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.556 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 58.7 m-85 -78.99 124.97 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 93.0 m-85 -122.89 118.99 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 104' ' ' ILE . 5.9 mmtp -116.28 116.57 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 56.93 41.98 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.424 ' HA ' HD22 ' A' ' 33' ' ' LEU . 49.5 m 63.74 37.99 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' C ' ' A' ' 101' ' ' SER . 73.8 mt-30 -152.27 107.5 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -56.59 121.43 9.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 20.2 pt -113.6 -26.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.556 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 30.9 t70 -140.4 168.01 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -163.06 139.06 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.717 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.0 tt -126.7 127.02 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.467 ' N ' HD23 ' A' ' 107' ' ' LEU . 2.6 p30 -115.9 135.42 54.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.3 141.96 12.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.434 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -62.33 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 61.0 m80 -122.52 111.26 16.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.7 -59.09 4.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.699 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.74 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -48.72 -45.06 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 119' ' ' VAL . 44.4 tp -54.92 -57.99 9.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 117' ' ' LYS . 42.3 m -46.38 -63.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 116' ' ' THR . 41.6 mttp -35.99 -62.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.717 ' HD2' HD12 ' A' ' 107' ' ' LEU . 40.1 mttm -55.25 -51.95 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.5 t -49.31 -64.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.402 ' NE2' HD11 ' A' ' 67' ' ' LEU . 29.9 mm-40 -55.37 -51.98 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -46.06 -54.04 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 62.6 m-70 -71.55 -24.46 61.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB2' HD23 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 72' ' ' PHE . 44.9 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.794 0.33 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' HG12 ' A' ' 73' ' ' VAL . 51.5 mt-10 -77.99 140.29 39.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.74 119.91 38.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 75' ' ' LEU . 43.1 t -76.28 119.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.25 -32.71 16.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -160.53 170.85 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -50.15 -58.83 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.19 -46.76 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.549 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -59.49 -46.81 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 43' ' ' VAL . 34.2 t80 -70.61 -60.79 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' HA ' HD12 ' A' ' 33' ' ' LEU . 74.6 mt-10 -47.18 -40.18 15.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -66.63 -54.99 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LEU . 2.0 tp -52.85 -47.13 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 30' ' ' GLU . 10.3 mt -34.45 -42.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 5.7 mpt_? -74.16 -56.73 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mt -47.72 -56.94 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' HD13 ' A' ' 41' ' ' LEU . 70.9 mmtt -89.59 40.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.75 -45.71 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -60.56 -22.94 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -110.5 159.82 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.6 HD22 ' C ' ' A' ' 122' ' ' HIS . 18.7 tp -70.81 131.29 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.703 HD12 ' HB2' ' A' ' 71' ' ' SER . 12.3 tp -107.09 152.49 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.9 t -140.82 107.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.635 HG21 ' CE1' ' A' ' 29' ' ' PHE . 69.8 t -97.97 98.3 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 4.4 t-160 -90.55 113.89 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.773 ' HB3' HG12 ' A' ' 92' ' ' VAL . 11.8 m-85 -72.42 103.46 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 31.9 p-90 -98.58 133.48 42.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -115.2 146.19 35.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.54 20.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -89.62 -46.95 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -55.63 108.66 1.25 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.75 35.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.32 -42.26 69.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -46.69 -22.9 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.54 -67.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.24 -43.86 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.404 ' HE1' ' HA ' ' A' ' 112' ' ' ALA . 36.1 mmt -56.16 -17.23 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -82.52 -52.57 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -66.9 -35.08 79.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' GLN . 50.2 t -58.75 -39.32 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 mtm -70.76 -45.35 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.27 -55.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HA ' ' HZ2' ' A' ' 65' ' ' LYS . 17.3 mm-40 -53.23 -38.51 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 116' ' ' THR . 56.5 mt -74.27 -34.3 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -58.23 -52.28 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HZ2' ' HA ' ' A' ' 62' ' ' GLU . 6.0 pttm -71.02 -36.2 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.66 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -116.42 94.04 41.67 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.84 37.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.5 pm0 -88.79 13.02 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 71' ' ' SER . 68.4 t -122.97 156.42 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.703 ' HB2' HD12 ' A' ' 41' ' ' LEU . 27.7 m -123.95 111.17 15.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 93.7 m-85 -100.67 111.96 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.654 HG12 ' HB2' ' A' ' 21' ' ' GLU . 17.6 m -123.03 122.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.89 124.24 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.482 HD12 HG11 ' A' ' 23' ' ' VAL . 1.3 tt -117.08 142.95 46.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 20.9 tt0 -85.68 116.4 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -58.38 -33.25 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -91.92 -21.83 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.89 5.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.71 81.16 5.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -28.26 25.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -46.72 -44.95 19.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.2 t -80.73 -48.34 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 88' ' ' GLU . 25.0 m -47.11 -41.27 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.6 -57.29 11.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -43.82 -58.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.18 -13.52 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' SER . 28.5 mt-10 63.28 47.71 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 23.3 mm -84.52 89.31 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -105.11 39.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -160.54 136.87 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.774 HG21 ' HB2' ' A' ' 47' ' ' ALA . 31.0 m -143.86 151.25 52.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.735 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.79 164.61 78.85 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.362 -0.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 HD12 ' A' ' 89' ' ' ILE . 21.2 m -160.58 115.77 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 31.7 m-85 -95.03 139.46 31.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 35.2 mt -126.02 112.98 16.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.517 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 63.6 m-85 -84.17 117.68 23.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 96' ' ' LEU . 64.5 m-85 -121.22 112.48 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.527 ' HE3' HD13 ' A' ' 40' ' ' LEU . 18.0 mttt -114.75 111.29 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.2 t30 71.56 39.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 p 61.56 36.11 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -150.46 116.9 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -59.67 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 105' ' ' ASP . 25.3 pt -118.14 -28.39 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.517 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 25.7 t70 -142.82 167.98 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -162.0 134.83 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.521 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.4 tt -118.73 114.74 23.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.79 128.45 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.74 135.66 9.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.07 109.14 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 52.1 m80 -135.85 117.0 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.78 -60.11 4.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 5.5 tp10 -49.78 -37.21 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 119' ' ' VAL . 32.1 tp -66.24 -61.77 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.644 HG23 HD21 ' A' ' 63' ' ' LEU . 46.7 m -43.99 -57.47 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -43.66 -62.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.521 ' HD2' HD12 ' A' ' 107' ' ' LEU . 40.3 mttm -53.5 -42.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 115' ' ' LEU . 84.3 t -58.49 -61.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -52.16 -52.49 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -52.85 -62.6 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.6 ' C ' HD22 ' A' ' 40' ' ' LEU . 72.4 m-70 -64.12 -13.4 47.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG11 ' HD2' ' A' ' 74' ' ' LYS . 80.5 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.768 0.318 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.43 142.58 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.49 104.97 17.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 29' ' ' PHE . 66.3 t -94.08 107.5 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.63 39.24 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 p -172.96 136.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.77 -37.25 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -59.01 -47.94 88.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.611 ' HB3' HG13 ' A' ' 23' ' ' VAL . 60.7 tt0 -57.18 -49.25 76.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.7 t80 -66.77 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -49.29 -37.77 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 26.9 tt0 -66.82 -51.95 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD23 HD11 ' A' ' 41' ' ' LEU . 10.6 tp -53.97 -43.0 69.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.6 mt -38.28 -35.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 12.3 mtp-105 -77.39 -54.21 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.65 -54.65 41.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -87.62 40.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.03 -46.33 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -45.57 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.1 p -81.24 174.12 11.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.02 127.99 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD11 HD23 ' A' ' 32' ' ' LEU . 11.0 tp -102.52 143.19 32.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.57 103.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.1 t -92.72 117.6 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.437 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 7.6 t-80 -106.85 120.96 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' HG21 ' A' ' 89' ' ' ILE . 14.0 m-85 -79.5 120.14 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 21.0 p-90 -123.39 120.63 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' HG21 ' A' ' 92' ' ' VAL . . . -112.21 145.54 33.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.15 20.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.793 ' CH2' HG22 ' A' ' 92' ' ' VAL . 43.5 p-90 -112.54 13.24 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -122.69 108.69 32.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -26.8 27.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.14 -34.67 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.1 m -51.23 -20.58 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -67.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -37.68 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.9 mmt -66.3 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -63.17 -48.43 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.06 -57.74 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.3 t -47.85 -42.16 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.437 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 79.0 mtp -56.63 -64.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.2 -61.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -51.23 -46.04 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.9 mt -59.31 -50.14 75.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.89 -57.46 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -67.27 -40.24 86.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.83 -36.27 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.86 90.74 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -15.73 36.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -88.35 9.22 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -123.45 150.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m -115.59 109.34 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -95.89 123.49 39.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.88 134.57 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' HD2' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -112.62 133.69 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.619 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.2 tt -128.06 144.29 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.571 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 38.4 tt0 -87.88 108.49 19.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.525 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -43.01 -52.28 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -68.87 -25.67 64.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.76 -40.6 44.91 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' HB ' HD11 ' A' ' 75' ' ' LEU . 60.9 t -124.63 81.25 60.71 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.561 0.696 . . . . 0.0 111.071 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.14 37.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.376 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.54 -44.42 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.4 t -79.1 -48.08 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' GLU . 75.3 m -50.1 -40.47 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -61.87 -53.14 59.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.532 ' HD2' ' CE1' ' A' ' 87' ' ' TYR . 10.7 ttmm -45.24 -60.88 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' A' ' 86' ' ' LYS . 84.1 m-85 -80.95 -11.71 59.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 84' ' ' SER . 84.7 mt-10 62.43 48.8 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 96' ' ' LEU . 22.1 mm -81.92 88.4 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.5 m -106.73 39.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.5 p -158.06 134.58 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.793 HG22 ' CH2' ' A' ' 49' ' ' TRP . 20.0 m -140.92 150.56 59.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.75 165.17 77.32 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.334 -0.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.57 HG21 HD12 ' A' ' 89' ' ' ILE . 18.5 m -160.46 130.78 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -109.15 147.87 31.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 89' ' ' ILE . 29.4 mt -141.1 107.78 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.96 123.48 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.25 117.05 28.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -110.38 124.81 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 50.81 31.71 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.579 ' HA ' HD22 ' A' ' 33' ' ' LEU . 6.3 t 74.93 30.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -144.78 115.3 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -59.09 127.12 30.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.9 pt -118.95 -22.8 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 13.1 t0 -155.4 163.51 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -157.26 138.12 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.1 tt -107.52 136.75 46.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.577 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -121.64 118.79 30.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.22 131.92 7.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.81 101.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 38.5 m80 -128.55 118.86 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.7 -59.5 5.58 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.77 -47.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.742 2.294 . . . . 0.0 112.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.491 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 10.7 tp10 -52.21 -44.4 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.783 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.2 tp -55.85 -54.53 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.7 m -56.14 -40.95 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -52.12 -60.52 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.682 ' HD2' HD12 ' A' ' 107' ' ' LEU . 36.5 mttm -59.41 -39.13 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.7 t -57.8 -50.69 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.41 -51.26 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -51.53 -48.6 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.0 m-70 -71.09 -41.59 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -90.87 148.26 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -97.19 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.736 HG22 ' OE1' ' A' ' 28' ' ' GLN . 10.7 t -98.54 120.1 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.5 13.24 9.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.4 p -150.37 148.57 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.27 71.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -63.02 -44.27 97.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.736 ' OE1' HG22 ' A' ' 23' ' ' VAL . 5.8 tt0 -63.6 -44.93 92.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CE1' HG21 ' A' ' 43' ' ' VAL . 7.9 t80 -61.22 -62.86 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.88 -32.63 66.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -71.18 -26.48 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' CD2' HG11 ' A' ' 73' ' ' VAL . 7.0 tp -83.51 -32.9 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 33' ' ' LEU . 11.3 mt -47.3 -30.05 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 1.8 ptp180 -86.54 -38.08 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.01 -53.89 38.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 41' ' ' LEU . 27.1 mmtp -89.33 30.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -1.47 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -100.09 -30.95 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -105.73 174.57 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 123' ' ' ALA . 32.2 tp -82.22 109.56 16.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 36' ' ' LYS . 12.1 tp -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.08 102.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.6 t -85.65 110.27 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 95' ' ' PHE . 17.6 t-80 -101.19 116.43 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.965 ' CE2' HG21 ' A' ' 89' ' ' ILE . 3.1 m-85 -74.4 113.76 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -116.31 129.52 56.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.787 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -115.48 144.27 32.09 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.562 0.696 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.33 5.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.787 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 9.1 p-90 -112.6 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . . . -45.76 104.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 50' ' ' ALA . 53.6 Cg_endo -69.77 1.42 4.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.623 HE21 ' HB3' ' A' ' 110' ' ' ALA . 6.0 tt0 -82.21 -50.06 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 17.5 p -40.82 -36.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -35.79 -70.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.54 ' NE2' ' SD ' ' A' ' 56' ' ' MET . 3.6 pt20 -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.607 ' SD ' ' HB1' ' A' ' 110' ' ' ALA . 15.0 mmm -64.67 -27.02 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -70.06 -52.85 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' GLN . 28.0 t -63.23 -42.8 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LEU . 76.3 mtp -62.62 -60.8 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.55 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.58 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' MET . 29.8 mt -75.04 -40.82 60.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.55 36.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -62.17 -46.39 89.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -58.17 -39.24 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.45 HD11 ' NE2' ' A' ' 120' ' ' GLN . 41.2 mt -118.36 87.27 29.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -23.85 30.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.318 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -73.72 -20.12 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 71' ' ' SER . 40.8 t -94.77 153.61 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.414 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.2 m -116.98 116.56 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.68 124.0 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' A' ' 32' ' ' LEU . 2.3 m -130.28 127.38 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -104.01 132.72 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.2 tt -127.12 133.69 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -82.14 110.33 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.01 -55.89 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' N ' ' OE2' ' A' ' 76' ' ' GLU . 20.5 mt-10 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.16 -39.72 18.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.83 81.05 69.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 111.115 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.39 16.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.97 -48.65 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.445 HG13 ' CE1' ' A' ' 87' ' ' TYR . 67.1 t -74.48 -47.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.7 m -48.99 -35.33 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.29 -52.27 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.89 -35.52 75.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.445 ' CE1' HG13 ' A' ' 83' ' ' VAL . 2.2 m-85 -95.47 -13.65 24.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 mt-10 62.68 30.16 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.965 HG21 ' CE2' ' A' ' 45' ' ' PHE . 3.0 mm -68.93 85.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -105.26 41.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 p -163.41 135.69 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' CB ' ' A' ' 45' ' ' PHE . 3.0 m -145.15 154.09 53.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.916 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 54.2 Cg_endo -69.72 162.15 84.62 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.368 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -154.55 124.59 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' A' ' 44' ' ' HIS . 31.1 m-85 -101.46 133.73 45.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.733 HD11 HD11 ' A' ' 89' ' ' ILE . 31.5 mt -120.08 110.73 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -81.39 125.25 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -123.63 111.99 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -108.14 110.21 21.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 67.95 39.16 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p 64.49 37.5 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -151.64 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.46 124.45 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.8 pt -119.55 -20.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -147.9 170.6 17.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -162.69 127.27 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -112.68 108.29 17.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -90.07 129.81 36.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.22 159.66 30.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.916 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -84.99 94.53 8.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 94.5 m-70 -114.75 112.76 23.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -65.35 -59.42 9.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.5 OUTLIER -50.56 -45.28 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 119' ' ' VAL . 58.1 tp -52.36 -56.85 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.3 m -51.59 -42.45 61.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -50.94 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.419 ' HD2' HD12 ' A' ' 107' ' ' LEU . 43.9 mttp -58.27 -48.89 79.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 115' ' ' LEU . 72.6 t -48.29 -58.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' A' ' 67' ' ' LEU . 35.7 mm-40 -62.16 -50.94 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -42.74 -61.08 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -67.38 -49.56 63.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.533 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.766 0.317 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.1 145.83 39.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.3 pm0 -100.96 122.66 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -86.7 117.34 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.07 -31.82 27.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.0 p -158.82 169.92 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -54.2 -51.95 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -35.91 -54.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.94 -58.25 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 30.4 t80 -47.18 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.05 -39.04 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.54 -43.1 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.769 HD23 HD11 ' A' ' 41' ' ' LEU . 2.5 tp -65.8 -35.94 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 13.1 mt -50.14 -38.23 38.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -74.39 -60.93 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.12 -56.21 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -86.65 41.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.18 -47.85 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -63.24 -41.69 99.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -81.78 157.64 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 tp -78.54 118.32 20.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.769 HD11 HD23 ' A' ' 32' ' ' LEU . 4.6 tp -97.9 137.33 36.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -123.11 103.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HA ' HG23 ' A' ' 73' ' ' VAL . 54.2 t -89.58 98.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -90.94 144.57 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 89' ' ' ILE . 18.0 m-85 -106.89 111.2 23.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -109.99 148.98 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -137.27 144.14 44.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.75 33.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.676 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 24.8 p-90 -91.26 -57.83 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -60.43 116.21 16.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.92 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 110' ' ' ALA . 8.0 mp0 -38.77 -48.0 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.8 -50.71 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -39.98 -52.97 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 8.6 mmt -52.67 -53.22 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -39.78 -53.24 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.26 -41.21 98.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG1' HD23 ' A' ' 115' ' ' LEU . 70.0 t -56.05 -53.02 43.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG2' HD21 ' A' ' 115' ' ' LEU . 8.6 mtm -61.1 -47.74 84.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.62 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.25 -56.28 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.641 HD21 ' OG1' ' A' ' 116' ' ' THR . 36.3 mt -42.78 -50.72 5.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.35 -42.96 43.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -66.15 -39.37 89.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -68.19 -43.53 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD11 ' HG2' ' A' ' 120' ' ' GLN . 5.7 mt -116.7 94.21 43.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.75 -28.35 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -65.71 -27.83 68.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.34 150.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.628 ' HB2' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.33 106.75 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 57.3 m-85 -96.03 128.56 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.536 HG23 ' HA ' ' A' ' 43' ' ' VAL . 31.5 m -138.77 121.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -102.15 131.95 48.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 80' ' ' VAL . 2.5 tt -125.2 140.28 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.99 109.93 19.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.15 -40.81 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -83.48 -28.03 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.03 -54.2 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.691 ' HB ' HD11 ' A' ' 75' ' ' LEU . 41.2 t -110.49 82.55 2.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.38 20.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 23.5 tp10 -46.34 -52.46 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.3 -51.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.9 m -43.97 -35.64 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -70.36 -54.71 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.548 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 32.1 ttmt -42.34 -62.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.548 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 86.4 m-85 -78.98 -14.16 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 66.88 45.37 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.722 HD11 HD11 ' A' ' 96' ' ' LEU . 40.6 mm -78.16 89.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.9 t -111.97 40.74 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.3 p -161.69 143.54 11.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 34.9 m -145.19 150.56 45.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.7 161.18 86.54 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.411 -0.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.1 m -161.13 118.94 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.6 ' CZ ' HD13 ' A' ' 115' ' ' LEU . 44.8 m-85 -102.06 154.07 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.722 HD11 HD11 ' A' ' 89' ' ' ILE . 35.1 mt -141.11 105.52 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 53.6 m-85 -79.18 124.53 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 38.8 m-85 -119.84 111.2 17.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.11 107.88 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 70.36 40.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m 64.26 33.39 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -149.31 128.32 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -68.24 134.09 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 105' ' ' ASP . 35.4 pt -124.77 -33.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.476 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 31.0 t70 -135.6 169.87 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -162.42 122.44 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 108' ' ' ASP . 1.5 tt -108.95 122.39 47.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.532 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.5 t70 -117.56 132.17 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.15 129.67 6.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . . . -51.85 103.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 74.4 m-70 -133.99 114.81 13.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.83 -58.23 5.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.3 Cg_endo -69.73 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 11.9 tp10 -48.26 -43.44 32.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.731 ' O ' HG23 ' A' ' 119' ' ' VAL . 30.8 tp -55.86 -62.1 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.641 ' OG1' HD21 ' A' ' 63' ' ' LEU . 97.3 m -50.82 -52.51 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -46.43 -60.98 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 29.2 mttm -55.99 -49.35 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 115' ' ' LEU . 89.6 t -50.34 -64.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.527 ' HG2' HD11 ' A' ' 67' ' ' LEU . 78.1 mt-30 -50.37 -57.05 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -43.32 -62.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 71.5 m-70 -60.96 -23.3 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.93 144.81 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -96.25 109.73 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 29' ' ' PHE . 90.5 t -88.52 102.53 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.44 31.75 8.16 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -170.87 138.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 83' ' ' VAL . . . -58.08 -40.62 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.1 -46.62 84.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.18 -50.0 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' HG21 ' A' ' 43' ' ' VAL . 31.1 t80 -59.81 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 33' ' ' LEU . 24.8 mt-10 -48.29 -38.87 19.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -67.58 -37.59 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 41' ' ' LEU . 4.8 tp -70.7 -36.78 73.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 30' ' ' GLU . 12.5 mt -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 35' ' ' LEU . 7.7 ptt180 -76.32 -37.26 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 34.7 mt -61.61 -54.26 45.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.809 ' HB2' HD13 ' A' ' 41' ' ' LEU . 64.9 mmtt -98.89 39.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -75.14 -59.51 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.44 -40.5 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.9 m -87.14 179.33 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.616 HD13 ' HE3' ' A' ' 99' ' ' LYS . 25.9 tp -92.73 116.08 28.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.809 HD13 ' HB2' ' A' ' 36' ' ' LYS . 10.3 tp -94.89 150.53 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -136.64 114.1 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.639 HG21 ' CE1' ' A' ' 29' ' ' PHE . 98.5 t -103.69 102.16 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 1.9 t-160 -94.83 122.58 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.59 ' HB3' HG12 ' A' ' 92' ' ' VAL . 13.3 m-85 -79.34 107.24 11.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 14.2 p-90 -106.85 134.43 50.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 144.95 55.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -20.39 34.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -101.37 21.2 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.44 111.07 15.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -46.9 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -48.06 -30.87 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 53.9 m -65.26 -46.63 79.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.69 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -56.71 -38.33 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.6 mmt -60.13 -20.67 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -82.95 -60.53 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.15 -30.26 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 55' ' ' GLN . 53.7 t -64.62 -45.42 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.1 mtm -60.64 -43.45 97.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.35 -50.59 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.82 -56.68 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.24 -48.75 6.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.48 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.59 -42.32 87.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.64 -41.75 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.477 HD11 ' OE1' ' A' ' 120' ' ' GLN . 13.7 mt -116.97 97.64 50.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.715 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.76 -38.71 7.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -57.03 -33.69 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.48 152.95 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.781 ' HB3' HD12 ' A' ' 41' ' ' LEU . 1.9 t -124.99 113.61 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.39 132.87 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.74 127.38 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -106.08 127.35 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.539 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.7 tt -117.17 132.7 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 26.8 tt0 -76.23 104.45 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.558 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -42.95 -49.65 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.43 -26.67 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.92 33.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 83' ' ' VAL . 80.9 t -113.5 82.85 6.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -19.68 36.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.38 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -63.85 -48.18 77.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 26' ' ' ALA . 86.5 t -73.95 -60.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' GLU . 13.6 m -37.37 -43.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.41 -46.35 80.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 87' ' ' TYR . 21.2 ttpt -48.92 -44.39 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 86' ' ' LYS . 8.0 m-85 -96.77 -10.75 26.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' SER . 41.7 mt-10 63.31 46.14 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.66 HD12 HG21 ' A' ' 94' ' ' THR . 23.6 mm -84.31 84.28 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -101.13 39.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -159.23 141.43 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.59 HG12 ' HB3' ' A' ' 45' ' ' PHE . 27.1 m -145.11 151.36 48.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.581 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 53.9 Cg_endo -69.78 165.23 77.23 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 -1.822 . . . . 0.0 112.349 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.66 HG21 HD12 ' A' ' 89' ' ' ILE . 29.6 m -160.71 113.66 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 26.6 m-85 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.531 HD12 ' HE1' ' A' ' 45' ' ' PHE . 19.9 mt -128.8 106.08 8.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.26 120.79 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 72.8 m-85 -121.59 117.24 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.616 ' HE3' HD13 ' A' ' 40' ' ' LEU . 9.4 mmtp -112.46 126.68 55.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.542 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 2.8 m120 52.24 38.25 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.47 ' HA ' HD22 ' A' ' 33' ' ' LEU . 23.3 t 67.25 35.78 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -152.64 118.49 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.21 135.09 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 105' ' ' ASP . 7.4 pt -123.34 -25.96 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 104' ' ' ILE . 7.4 t70 -152.15 173.37 15.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -161.77 137.15 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.9 tt -107.84 113.07 26.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.54 129.76 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.28 150.36 23.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.581 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -69.66 126.93 31.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 45.9 m80 -153.33 117.05 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -71.7 -58.58 3.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.082 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.76 -42.36 3.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.28 -39.11 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 119' ' ' VAL . 33.5 tp -58.8 -54.03 51.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 88.8 m -55.08 -51.76 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -44.42 -60.09 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -58.2 -46.07 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.4 t -52.18 -62.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' OE1' HD11 ' A' ' 67' ' ' LEU . 12.0 mm-40 -55.21 -54.62 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -47.87 -55.93 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -66.14 -25.71 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -73.58 146.18 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.87 128.62 44.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -113.45 114.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.42 32.68 4.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -166.63 134.56 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -57.89 -41.57 82.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.37 -36.57 77.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.439 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -65.59 -49.19 69.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 43' ' ' VAL . 28.8 t80 -61.67 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.44 -34.16 66.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.25 -47.3 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' ARG . 7.1 tp -59.45 -46.13 89.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . 24.3 mt -36.73 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' LEU . 31.8 mtp180 -79.68 -47.14 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 18.1 mt -61.49 -56.56 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -91.01 39.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.93 -66.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -53.57 -38.63 64.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -77.08 163.01 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 122' ' ' HIS . 64.3 tp -82.77 127.0 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD11 HD23 ' A' ' 32' ' ' LEU . 12.2 tp -110.81 147.24 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -134.81 109.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 29' ' ' PHE . 99.5 t -94.85 102.88 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -92.85 119.76 32.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CD2' HG21 ' A' ' 89' ' ' ILE . 12.2 m-85 -81.41 121.3 26.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.406 ' CE2' ' HG3' ' A' ' 76' ' ' GLU . 21.9 p-90 -124.73 128.86 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -111.84 142.8 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -7.16 20.39 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 67.3 p-90 -103.38 -32.56 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.79 109.2 28.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.699 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -20.75 34.09 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 110' ' ' ALA . 13.8 tp60 -55.06 -26.18 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.4 p -59.52 -17.23 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -68.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.92 -38.93 70.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.8 mmt -59.34 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -74.84 -41.38 59.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.56 -44.44 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.01 -39.89 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.411 ' HG2' HD21 ' A' ' 115' ' ' LEU . 8.6 mtm -69.41 -49.49 54.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.04 -52.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.05 -53.78 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.771 HD13 HG21 ' A' ' 119' ' ' VAL . 31.7 mt -43.61 -59.76 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.88 -44.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -64.61 -46.56 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -63.08 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HG12 ' A' ' 119' ' ' VAL . 4.2 mt -120.71 90.7 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.04 36.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -84.13 7.86 17.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 71' ' ' SER . 73.7 t -112.67 157.98 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.3 m -126.78 105.37 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.407 ' HZ ' HG11 ' A' ' 119' ' ' VAL . 84.8 m-85 -93.68 115.35 27.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.18 128.41 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -104.7 131.12 52.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.9 tt -124.14 151.0 44.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 tt0 -96.68 120.78 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.19 92.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -78.58 -27.1 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.15 -33.37 40.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.29 81.03 50.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.45 25.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 27.8 tp10 -45.29 -54.85 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.54 -46.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . 11.9 m -53.6 -34.11 57.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -66.02 -59.92 3.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 12.0 tttm -43.71 -57.39 3.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 96.8 m-85 -80.3 -14.72 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 84' ' ' SER . 13.6 mt-10 63.01 42.8 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.648 HG21 ' CD2' ' A' ' 45' ' ' PHE . 15.6 mm -77.79 85.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -103.56 41.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.1 p -158.26 136.0 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.623 HG12 ' HB3' ' A' ' 45' ' ' PHE . 29.1 m -144.52 151.28 50.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 54.1 Cg_endo -69.71 159.98 88.63 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.361 -0.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.3 m -158.16 121.45 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -98.66 152.61 19.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.41 HD11 HD11 ' A' ' 89' ' ' ILE . 14.6 mt -139.2 106.79 5.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 79.9 m-85 -80.24 111.83 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -110.58 119.27 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -112.09 126.38 55.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 49.89 34.42 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 72.16 32.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -147.41 113.51 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.02 131.41 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.9 pt -119.43 -32.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.3 t0 -152.88 147.87 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 6.9 ttm180 -131.5 143.66 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.599 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.3 tt -122.45 109.77 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -104.81 125.59 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.11 123.84 5.21 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.642 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -50.61 106.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 37.8 m80 -135.12 119.72 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.08 -59.89 4.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.73 -47.98 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 5.8 tp10 -49.64 -36.07 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.73 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.2 tp -66.17 -59.31 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.453 HG23 HD21 ' A' ' 63' ' ' LEU . 94.5 m -50.05 -44.97 51.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -52.74 -59.94 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.599 ' HD2' HD12 ' A' ' 107' ' ' LEU . 32.1 mttm -56.08 -41.24 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.771 HG21 HD13 ' A' ' 63' ' ' LEU . 57.7 t -58.51 -62.68 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.27 -54.83 18.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -50.07 -56.71 9.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 45.3 m-70 -68.56 -8.18 39.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.9 p . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.801 0.334 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.06 158.04 35.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.27 131.0 56.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.4 t -83.36 123.52 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.3 -34.09 13.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 p -163.55 173.51 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . . . -48.21 -59.67 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.14 -57.01 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.75 -59.81 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 43' ' ' VAL . 36.8 t80 -55.03 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.5 -40.34 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.37 -58.74 5.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.2 tp -47.53 -49.54 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.6 mt -34.25 -50.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -57.07 -62.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.55 -53.57 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -89.92 42.36 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.77 -54.59 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.5 -43.88 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -72.53 179.53 3.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -99.0 132.71 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -112.46 143.11 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.1 105.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 29' ' ' PHE . 97.4 t -100.09 105.94 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 6.8 t-80 -94.78 139.55 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.7 m-85 -99.32 103.0 14.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -108.2 136.17 48.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB1' ' CE2' ' A' ' 49' ' ' TRP . . . -113.01 139.03 22.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.2 3.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.629 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 22.2 p-90 -117.93 -53.04 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.629 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -53.06 119.92 18.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -3.44 12.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ALA . 35.6 mt-30 -73.92 -61.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 28.6 p -35.96 -31.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -39.45 -70.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 59' ' ' VAL . 22.4 pt20 -66.08 -52.97 43.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 24.1 mmm -40.58 -33.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.42 -67.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 7.1 pt-20 -47.74 -36.08 10.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.476 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 90.6 t -60.17 -39.91 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.9 mtp -66.07 -59.77 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.67 -40.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.13 -37.74 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 60' ' ' MET . 36.7 mt -70.26 -49.89 45.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.8 19.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 18.4 ptpt -65.37 -47.69 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.3 tp10 -54.0 -46.38 71.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.03 94.26 47.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.15 26.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 70' ' ' VAL . 7.6 pt20 -61.72 -33.77 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 71' ' ' SER . 48.7 t -79.97 153.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' HG12 ' A' ' 70' ' ' VAL . 61.2 m -116.36 101.63 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.42 ' C ' HG23 ' A' ' 20' ' ' VAL . 80.4 m-85 -91.23 126.81 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.454 ' CG2' HG22 ' A' ' 43' ' ' VAL . 20.9 m -135.16 122.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -98.39 131.68 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -127.29 124.34 38.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -70.36 122.89 20.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.39 74.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -84.67 -27.34 27.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.03 -52.6 8.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -112.05 79.4 2.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -40.92 4.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.224 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' A' ' 26' ' ' ALA . 3.9 pt-20 -40.07 -50.95 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.38 -57.82 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLU . 12.9 m -40.83 -42.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.44 -57.09 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -41.79 -61.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.13 -14.33 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' SER . 43.5 mt-10 65.55 41.76 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.639 HD11 HD11 ' A' ' 96' ' ' LEU . 23.7 mm -77.89 90.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -107.22 39.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.3 p -157.36 135.98 11.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 45' ' ' PHE . 20.1 m -145.62 150.46 43.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.608 0.718 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.7 Cg_endo -69.77 162.51 84.02 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.322 -0.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 m -161.41 126.91 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 27.5 m-85 -106.79 144.23 33.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 89' ' ' ILE . 85.3 mt -130.4 107.99 9.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -82.34 116.63 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.61 125.22 53.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -123.13 115.75 22.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 62.44 37.31 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 66.94 36.51 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -151.36 125.03 9.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -66.64 117.09 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.8 pt -105.29 -27.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 104' ' ' ILE . 12.5 t70 -156.36 156.95 34.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.501 ' CG ' HD23 ' A' ' 96' ' ' LEU . 4.1 tmm_? -146.69 147.68 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -102.37 129.33 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.06 158.18 25.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -81.37 94.06 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 53.0 m80 -122.07 113.26 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.49 -58.27 7.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.646 0.736 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.76 -49.58 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 26.9 tt0 -46.13 -45.55 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 47.7 tp -56.9 -65.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 m -38.51 -51.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -48.05 -62.1 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.417 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 25.2 mttp -54.29 -42.17 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.6 t -55.49 -54.04 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.01 -51.95 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -51.59 -61.99 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 39.9 m-70 -57.62 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HB2' HG12 ' A' ' 73' ' ' VAL . 3.5 mm-40 -76.66 157.94 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.86 116.63 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.733 HG11 ' HB2' ' A' ' 29' ' ' PHE . 99.1 t -107.83 107.87 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.09 37.48 3.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.43 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 80' ' ' VAL . 20.8 p -173.41 155.26 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.83 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.16 -41.73 96.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.507 ' HB3' HG13 ' A' ' 23' ' ' VAL . 46.9 tt0 -60.88 -53.89 51.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.733 ' HB2' HG11 ' A' ' 23' ' ' VAL . 7.0 t80 -61.35 -62.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -47.46 -39.64 16.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.68 -53.76 46.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.763 HD23 HD11 ' A' ' 41' ' ' LEU . 5.8 tp -49.54 -51.86 33.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD21 ' CG ' ' A' ' 98' ' ' PHE . 11.4 mt -34.28 -40.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -70.68 -60.82 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.76 -53.32 49.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -90.19 42.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.29 -47.6 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -57.26 -49.34 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -78.24 174.72 10.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 122' ' ' HIS . 19.5 tp -89.51 126.08 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.763 HD11 HD23 ' A' ' 32' ' ' LEU . 5.2 tp -105.84 149.02 26.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -138.27 110.79 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.643 HG21 ' CE1' ' A' ' 29' ' ' PHE . 96.0 t -99.7 99.63 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 18.9 t60 -88.53 132.05 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.716 ' HB3' HG12 ' A' ' 92' ' ' VAL . 11.8 m-85 -90.36 103.04 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.6 p-90 -98.93 136.04 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -122.46 144.07 41.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.87 6.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 22.6 p-90 -71.63 -51.54 22.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -67.68 112.31 10.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.71 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.56 28.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' CYS . 18.4 mp0 -62.03 -48.02 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 25.4 p -36.0 -37.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HA ' ' OD1' ' A' ' 57' ' ' ASN . . . -52.7 -70.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 59' ' ' VAL . 11.5 mm100 -37.3 -44.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 11.1 mmt -64.99 -58.65 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.511 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -40.27 -38.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.83 -53.32 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 55' ' ' GLN . 96.5 t -54.86 -43.17 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.79 -55.34 35.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.8 -51.33 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 21.0 mt -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.14 -59.35 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -67.05 -48.7 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -47.28 -47.31 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 29.9 mt -114.35 93.23 30.72 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.74 -15.61 37.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -96.12 24.96 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.46 139.31 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.639 ' HB2' HD12 ' A' ' 41' ' ' LEU . 69.6 m -104.76 105.32 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 63' ' ' LEU . 94.8 m-85 -95.6 120.27 35.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.618 HG12 ' HB2' ' A' ' 21' ' ' GLU . 15.6 m -134.26 130.23 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -108.26 129.73 55.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.536 HD23 ' N ' ' A' ' 76' ' ' GLU . 9.8 tt -116.65 141.13 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 37.7 tt0 -88.67 100.48 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -42.94 -43.5 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -77.36 -24.64 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -76.52 -41.07 25.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 25' ' ' SER . 81.8 t -127.26 82.94 67.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 111.1 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.79 37.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.18 -53.67 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.92 -43.64 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.0 m -52.67 -39.64 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.09 -57.02 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -42.83 -61.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -75.97 -12.66 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 62.67 43.67 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.691 HD12 HG21 ' A' ' 94' ' ' THR . 24.4 mm -79.38 92.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -109.08 39.6 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.9 p -161.58 141.67 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.716 HG12 ' HB3' ' A' ' 45' ' ' PHE . 27.0 m -145.16 151.17 47.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.75 165.14 77.38 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.331 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.691 HG21 HD12 ' A' ' 89' ' ' ILE . 21.7 m -156.53 119.27 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 44' ' ' HIS . 76.7 m-85 -101.66 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.556 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 31.1 mt -122.01 105.26 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -78.98 119.67 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -116.99 113.4 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -110.14 112.94 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.06 41.76 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m 62.71 37.21 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -154.25 112.76 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -55.45 127.39 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 105' ' ' ASP . 38.1 pt -119.91 -34.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 104' ' ' ILE . 9.9 t70 -136.98 169.34 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -163.04 143.56 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.579 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.6 tt -126.3 121.15 31.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.406 ' N ' HD23 ' A' ' 107' ' ' LEU . 8.9 p-10 -108.12 138.7 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.21 148.32 23.89 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.62 99.85 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 80.2 m-70 -127.91 117.24 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -70.67 -59.27 3.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -51.98 -43.89 63.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 119' ' ' VAL . 53.5 tp -54.98 -58.26 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' LYS . 90.0 m -48.93 -60.33 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' THR . 49.8 mttm -34.6 -67.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.579 ' HD2' HD12 ' A' ' 107' ' ' LEU . 45.5 mttp -52.28 -49.28 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 115' ' ' LEU . 99.5 t -51.05 -63.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -49.55 -57.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -46.49 -60.39 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.453 ' C ' HD22 ' A' ' 40' ' ' LEU . 63.9 m-70 -63.33 -23.52 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -173.62 106.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.356 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -148.04 162.24 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -130.97 85.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.531 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 20.6 t -37.13 -44.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.831 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t 54.91 42.15 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.29 -119.75 4.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.1 mtt -157.94 139.44 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.27 162.63 20.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.38 118.39 27.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.66 59.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.66 144.77 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.66 176.69 8.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -153.11 130.15 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.7 172.36 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.04 119.91 32.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 19' ' ' ALA . 95.2 t -120.25 134.52 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.28 42.4 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -114.0 152.87 30.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.09 122.38 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.851 ' HB2' HG12 ' A' ' 73' ' ' VAL . 44.2 mt-10 -76.81 147.16 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -105.53 110.64 23.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 29' ' ' PHE . 24.5 t -95.79 118.39 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.34 23.3 7.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.7 p -165.99 148.64 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.69 71.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.11 -51.83 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 43' ' ' VAL . 21.0 t80 -63.14 -61.35 2.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -50.25 -31.7 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.88 -53.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.876 HD23 HD11 ' A' ' 41' ' ' LEU . 7.6 tp -52.9 -42.57 65.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt -35.47 -50.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -66.86 -56.55 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.21 -61.8 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HB2' HD13 ' A' ' 41' ' ' LEU . 13.6 mmtm -84.33 40.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -73.75 -49.67 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.92 -47.28 85.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.2 p -74.04 -178.47 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 123' ' ' ALA . 40.3 tp -99.77 114.96 28.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.876 HD11 HD23 ' A' ' 32' ' ' LEU . 8.6 tp -94.74 134.55 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -122.95 107.46 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.626 HG21 ' CE1' ' A' ' 29' ' ' PHE . 99.0 t -96.67 106.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -101.52 137.18 40.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 47.0 m-85 -95.81 107.34 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.586 ' CZ2' ' HG3' ' A' ' 76' ' ' GLU . 34.9 p-90 -106.75 146.81 30.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.603 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -130.56 138.62 33.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.31 4.51 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.603 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 60.1 p-90 -116.15 -50.97 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 121.91 53.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.461 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.78 -33.88 15.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -53.89 -46.76 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -54.62 -19.23 5.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 51' ' ' PRO . . . -60.22 -67.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -64.47 -40.63 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.424 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 13.3 mmt -53.75 -31.78 49.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -74.32 -44.91 50.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.16 -43.6 95.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.3 -45.56 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' ALA . 50.4 mtp -52.31 -55.35 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.39 -56.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -55.63 -61.34 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.33 -58.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.26 -37.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -71.74 -47.54 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -60.66 -42.42 96.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HB3' HG23 ' A' ' 70' ' ' VAL . 42.1 mt -109.67 89.64 7.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.6 37.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.59 18.48 14.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 67' ' ' LEU . 91.2 t -118.51 154.55 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' HG12 ' A' ' 70' ' ' VAL . 44.9 m -119.78 115.28 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.52 110.71 22.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' A' ' 21' ' ' GLU . 29.3 m -122.36 127.96 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -106.37 131.14 53.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -118.55 146.73 44.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 12.9 mt-10 -85.87 112.92 21.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.88 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -79.72 -25.57 41.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.35 -39.78 87.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -125.43 81.15 64.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -5.74 16.92 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.33 -47.57 55.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.79 -45.35 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.2 m -52.32 -36.67 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.9 -56.17 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -46.54 -59.45 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -79.19 -10.42 59.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 84' ' ' SER . 36.8 mt-10 59.65 42.95 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 94' ' ' THR . 10.1 mm -81.45 93.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -115.57 41.32 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -159.63 142.1 13.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.52 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.5 m -143.55 154.1 59.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 111.086 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.647 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.4 Cg_endo -69.78 164.61 78.84 Favored 'Cis proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.362 -0.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 89' ' ' ILE . 17.6 m -157.91 123.87 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -110.98 139.11 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 28.7 mt -127.47 113.79 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -85.5 110.71 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 94.2 m-85 -109.12 116.47 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -119.84 119.96 35.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.427 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 0.1 OUTLIER 63.3 37.3 11.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 p 61.78 36.3 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 104' ' ' ILE . 48.4 mt-30 -152.94 110.62 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.451 ' HD2' HD22 ' A' ' 96' ' ' LEU . 18.9 ttpp -51.6 126.81 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 102' ' ' GLN . 7.0 pt -120.45 -21.37 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -150.44 164.83 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.423 ' HG3' HD23 ' A' ' 96' ' ' LEU . 19.6 ttt180 -162.42 134.21 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.3 tt -115.14 122.24 45.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -106.27 134.56 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.62 154.95 30.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -77.76 98.86 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.4 m-70 -126.85 114.62 18.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.0 -59.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.0 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 1.6 tp10 -47.24 -36.78 9.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 119' ' ' VAL . 18.8 tp -65.99 -61.15 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 m -44.44 -49.66 9.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -47.47 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.587 ' HD2' HD12 ' A' ' 107' ' ' LEU . 29.6 mttp -56.27 -48.09 77.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 115' ' ' LEU . 92.9 t -50.92 -57.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -59.24 -51.65 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -41.53 -62.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' ALA . 22.1 m80 -68.24 -53.77 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.482 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -34.89 -35.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 122' ' ' HIS . 28.1 t -38.21 -59.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.2 m -39.57 116.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.76 -158.08 26.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.77 33.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.389 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 60.2 p 45.92 39.3 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.8 m -44.62 134.77 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -124.87 126.17 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -159.2 134.61 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.79 47.63 2.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -46.85 108.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 m -111.86 106.78 15.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.07 40.34 1.49 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.6 mmm -107.29 85.74 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.75 152.55 46.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.71 91.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.19 97.01 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.26 95.41 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -165.49 123.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -127.69 169.38 13.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.28 160.4 28.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.08 105.63 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 p -122.7 159.08 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.0 137.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.21 149.52 42.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.87 124.31 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.5 141.1 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -95.81 109.71 21.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 29' ' ' PHE . 51.6 t -89.95 122.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.57 29.01 3.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 p -163.82 132.35 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.82 -53.55 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.38 -45.2 45.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -53.49 -48.91 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.484 ' HB2' HG11 ' A' ' 23' ' ' VAL . 34.0 t80 -65.97 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -50.32 -34.79 24.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.8 -45.23 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.72 HD23 HD11 ' A' ' 41' ' ' LEU . 2.3 tp -60.08 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' LEU . 11.5 mt -35.43 -41.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -74.17 -56.04 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.48 -56.19 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -87.83 38.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -44.88 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -63.26 -43.99 96.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -85.59 152.85 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.36 122.35 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.72 HD11 HD23 ' A' ' 32' ' ' LEU . 7.8 tp -97.33 130.14 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -118.98 103.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.0 t -81.35 152.84 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -142.83 121.43 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.7 ' HB3' HG12 ' A' ' 92' ' ' VAL . 23.8 m-85 -91.77 124.48 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -123.85 136.57 54.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -114.08 141.43 26.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.06 6.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 15.0 p-90 -117.31 -40.78 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -73.66 123.76 89.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -41.4 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' CYS . 9.5 mt-30 -37.09 -41.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 54' ' ' ALA . 12.2 p -36.09 -46.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' N ' ' SG ' ' A' ' 53' ' ' CYS . . . -62.98 -64.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 54' ' ' ALA . 3.6 mp0 -35.43 -38.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.2 -46.19 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ALA . 10.6 t30 -45.15 -52.02 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.71 -60.03 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -48.62 -40.04 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.2 mtp -56.44 -63.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.96 -54.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -51.58 -43.96 62.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.551 HD21 HG23 ' A' ' 116' ' ' THR . 33.7 mt -67.59 -52.66 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.7 -61.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -64.74 -41.32 96.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.86 -32.74 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 6.6 mt -134.71 92.68 19.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.71 -20.74 34.71 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.444 ' HG2' HG23 ' A' ' 70' ' ' VAL . 5.4 pm0 -74.35 -9.76 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.444 HG23 ' HG2' ' A' ' 69' ' ' GLN . 58.2 t -109.38 141.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -109.24 113.78 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 61.2 m-85 -95.2 119.11 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.494 HG11 HD22 ' A' ' 32' ' ' LEU . 19.9 m -125.51 131.15 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.0 tt -128.35 138.16 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -87.99 115.54 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.24 -54.45 21.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -66.01 -19.79 65.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.45 -55.24 4.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.87 78.6 2.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -5.53 16.41 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.0 t -93.52 -30.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' GLU . 19.5 m -60.88 -31.97 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 86' ' ' LYS . 11.4 pt-20 -70.27 -51.07 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 1.1 tmtp? -45.98 -52.05 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -90.49 -13.56 34.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 84' ' ' SER . 54.0 mt-10 66.79 40.7 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.768 HD11 HD11 ' A' ' 96' ' ' LEU . 13.6 mm -74.45 92.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -113.95 42.56 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 p -164.94 140.84 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.7 HG12 ' HB3' ' A' ' 45' ' ' PHE . 33.6 m -144.02 150.62 49.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.74 164.86 78.09 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.38 -0.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.637 HG21 HD12 ' A' ' 89' ' ' ILE . 12.7 m -154.18 132.5 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.549 ' CD2' HD11 ' A' ' 115' ' ' LEU . 47.3 m-85 -113.72 135.35 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.768 HD11 HD11 ' A' ' 89' ' ' ILE . 26.2 mt -127.46 105.7 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 78.9 m-85 -79.33 125.05 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 80.6 m-85 -126.72 112.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -111.04 106.11 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.04 41.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m 61.72 43.9 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -156.15 119.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -64.03 129.95 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 105' ' ' ASP . 15.5 pt -126.36 -31.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.528 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 16.3 t70 -139.09 167.52 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -163.01 138.77 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -125.13 111.57 15.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -99.13 140.6 33.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.64 167.93 38.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.32 103.43 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 111.081 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 41.5 m80 -131.86 117.05 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.58 -60.01 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.72 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 28.0 tt0 -45.29 -36.66 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.549 HD11 ' CD2' ' A' ' 95' ' ' PHE . 26.3 tp -67.69 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.551 HG23 HD21 ' A' ' 63' ' ' LEU . 99.9 m -43.23 -45.19 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -49.94 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -53.59 -51.97 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 115' ' ' LEU . 91.9 t -47.5 -55.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 94.2 mt-30 -54.75 -56.25 21.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.61 -62.84 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -55.6 -37.43 68.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 120' ' ' GLN . . . -39.11 -39.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.5 m -45.51 105.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 m -135.1 155.48 50.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.7 157.17 41.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.13 27.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.4 m -78.94 -58.47 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.8 m -110.83 94.7 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -98.43 111.34 23.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -77.32 171.38 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.88 116.05 0.75 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 m -120.14 169.63 10.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 t -88.71 131.52 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 147.29 19.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 mmt -110.98 92.93 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.63 -63.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.91 130.12 19.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.57 -78.74 0.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.04 109.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.87 92.57 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -159.52 135.4 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.79 156.11 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.49 125.77 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.36 132.24 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.07 40.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.11 146.26 48.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' HG2' ' A' ' 74' ' ' LYS . 62.1 t -74.71 121.75 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' HB2' HG12 ' A' ' 73' ' ' VAL . 16.6 mt-10 -72.45 144.59 48.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -98.91 111.81 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 29' ' ' PHE . 85.2 t -98.94 118.05 44.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.48 34.99 3.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 p -168.69 135.63 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -48.5 73.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.51 -41.02 63.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.82 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CE1' HG21 ' A' ' 43' ' ' VAL . 21.5 t80 -62.29 -57.47 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.68 -37.17 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.36 -51.9 46.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD23 HD11 ' A' ' 41' ' ' LEU . 4.7 tp -52.56 -47.19 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.783 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.6 mt -34.34 -44.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.89 -43.55 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.2 mp -60.58 -61.76 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB2' HD13 ' A' ' 41' ' ' LEU . 62.2 mmtt -87.79 38.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.45 -52.04 13.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -48.71 -43.4 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -88.27 171.53 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.6 tp -84.48 123.44 30.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.668 HD11 HD23 ' A' ' 32' ' ' LEU . 7.4 tp -100.1 141.27 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.79 102.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.529 HG21 ' CE1' ' A' ' 29' ' ' PHE . 84.5 t -83.68 118.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -108.27 117.31 33.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.711 ' HB3' HG12 ' A' ' 92' ' ' VAL . 10.9 m-85 -76.88 120.55 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.464 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 25.2 p-90 -124.3 129.92 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -121.18 139.45 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.528 0.68 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.09 6.39 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.8 p-90 -117.5 5.78 12.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.56 113.63 38.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.2 18.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' ALA . 5.1 mp0 -72.84 -44.61 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -38.45 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -64.03 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.672 ' O ' HG23 ' A' ' 59' ' ' VAL . 7.1 mm100 -46.45 -52.67 12.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 11.2 mmt -63.69 -46.32 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -43.71 -60.48 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.1 -52.49 63.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' GLN . 60.0 t -49.72 -44.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.5 mtp -59.0 -60.81 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.96 -54.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.68 -34.39 62.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.625 HD13 HG21 ' A' ' 119' ' ' VAL . 84.5 mt -74.69 -49.03 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -38.99 -54.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -53.8 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -43.36 -49.06 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD1' HG12 ' A' ' 119' ' ' VAL . 18.9 mt -110.98 92.74 15.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.5 Cg_endo -69.79 -15.49 37.0 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -93.37 18.39 9.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' SER . 95.2 t -125.2 155.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.666 ' HB3' HD12 ' A' ' 41' ' ' LEU . 2.2 t -122.95 117.98 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.5 m-85 -106.32 114.03 27.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 21' ' ' GLU . 16.1 m -123.07 130.74 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HG2' HG12 ' A' ' 20' ' ' VAL . 7.6 ptmt -109.32 133.93 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.551 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.5 tt -122.93 145.36 48.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.78 108.59 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.69 -55.84 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.64 -27.32 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.23 61.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -130.54 83.02 63.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.78 37.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.15 -50.82 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.4 -45.46 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 14.3 m -55.84 -41.02 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.5 -59.3 5.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -44.18 -59.01 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.63 -14.57 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 84' ' ' SER . 45.0 mt-10 64.7 37.04 7.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.95 HD12 HG21 ' A' ' 94' ' ' THR . 5.3 mm -69.84 94.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -114.29 43.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 p -166.56 124.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 45' ' ' PHE . 3.7 m -127.0 154.15 76.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.717 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.72 165.05 77.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.36 -0.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.95 HG21 HD12 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -131.88 156.09 46.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -141.04 110.19 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 84.5 mt -114.72 104.5 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -82.22 112.16 18.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -108.66 123.24 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -109.57 94.31 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 74.21 40.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.783 ' HA ' HD22 ' A' ' 33' ' ' LEU . 4.3 t 72.05 28.34 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -142.36 111.16 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -59.3 127.77 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 105' ' ' ASP . 47.3 pt -119.45 -37.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.504 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 14.6 t0 -137.21 170.27 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -162.16 145.03 11.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.771 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.2 tt -126.64 113.7 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 22.7 t0 -98.42 124.56 43.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.74 154.71 13.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.12 82.44 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 91.2 m-70 -108.35 118.02 35.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.753 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.58 -58.49 8.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.554 0.692 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.71 -49.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.1 tt0 -50.61 -42.26 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 119' ' ' VAL . 52.2 tp -55.87 -61.29 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 77.5 m -48.42 -47.37 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -49.29 -53.46 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.771 ' HD2' HD12 ' A' ' 107' ' ' LEU . 49.2 mttm -65.28 -45.55 84.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 63' ' ' LEU . 90.0 t -53.17 -59.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -57.99 -51.93 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -44.03 -59.11 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 57.8 m-70 -64.9 -53.21 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . -34.19 -41.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 123' ' ' ALA . 3.0 m -34.81 138.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.4 m -74.53 175.29 7.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.68 -157.98 22.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 145.53 57.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 53.4 m -75.73 -51.73 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 65.7 p -117.6 174.64 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t 57.62 41.94 24.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t 70.27 42.62 0.92 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.52 111.97 3.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p -173.16 134.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -160.14 137.37 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.98 118.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mtt -142.88 144.2 32.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.54 109.19 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.95 132.9 45.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.62 -135.99 12.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.29 42.83 14.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.76 90.71 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -158.71 116.83 2.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.16 162.75 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.41 141.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.3 t -99.85 122.46 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -97.46 45.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.96 152.33 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.8 t -76.72 115.63 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -74.4 150.65 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 105.31 15.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG11 ' HB2' ' A' ' 29' ' ' PHE . 94.6 t -91.81 118.67 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.7 27.56 5.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.4 p -165.58 147.68 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -30.27 71.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.23 -34.56 75.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' NE2' HG22 ' A' ' 23' ' ' VAL . 17.1 tt0 -69.62 -38.43 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -77.48 -52.63 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HA ' HD12 ' A' ' 33' ' ' LEU . 19.0 mt-10 -52.3 -39.86 61.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 10.1 pt-20 -73.84 -43.74 57.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.671 ' CD2' HG11 ' A' ' 73' ' ' VAL . 4.0 tp -63.25 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.598 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 10.5 mt -63.75 -27.97 69.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -81.08 -46.91 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -67.92 -53.64 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -85.93 35.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -81.98 -48.93 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 39' ' ' SER . 20.5 pttt -58.83 -32.36 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 50.2 m -92.37 165.36 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD13 ' HZ2' ' A' ' 99' ' ' LYS . 43.4 tp -78.41 107.07 10.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 tp -94.13 130.32 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.93 102.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 29' ' ' PHE . 98.5 t -83.45 105.42 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CG ' ' SD ' ' A' ' 60' ' ' MET . 12.9 t-80 -97.8 129.86 44.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.645 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 14.1 m-85 -87.35 128.1 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.502 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 17.8 p-90 -126.55 137.02 53.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -129.93 147.91 67.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.69 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.27 29.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 14.4 p-90 -88.28 -53.24 4.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -58.15 112.63 5.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -45.55 -51.73 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.9 m -43.99 -30.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.94 -51.12 62.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -65.08 -57.63 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 56' ' ' MET . 16.1 mmt -39.89 -35.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -56.94 -65.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.56 -37.25 57.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.06 -35.93 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.501 ' SD ' ' CG ' ' A' ' 44' ' ' HIS . 83.8 mtp -72.27 -50.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.82 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -52.16 -32.78 37.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.6 mt -75.49 -36.97 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.476 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -49.71 -57.92 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.4 -42.25 31.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 8.8 mt -115.63 90.13 25.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.71 -16.62 37.85 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.683 2.255 . . . . 0.0 112.315 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -93.23 19.03 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.0 t -130.49 138.81 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.9 m -104.46 115.67 30.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -103.22 112.96 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.671 HG11 ' CD2' ' A' ' 32' ' ' LEU . 23.1 m -123.6 131.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.502 ' HE3' ' CD1' ' A' ' 46' ' ' TRP . 10.5 ptmt -114.17 137.75 51.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.629 HD11 ' HB ' ' A' ' 80' ' ' VAL . 4.1 tt -125.16 146.75 49.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 79' ' ' GLY . 37.9 tt0 -88.25 104.13 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.645 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -43.87 -37.89 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -82.01 -23.94 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -78.93 -41.56 14.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.629 ' HB ' HD11 ' A' ' 75' ' ' LEU . 44.6 t -121.09 82.11 36.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -22.33 32.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.76 -54.79 43.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.96 -46.94 90.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . 37.7 m -52.62 -40.3 62.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.38 -59.34 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -43.31 -60.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -76.03 -13.17 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 39.9 mt-10 63.31 37.3 11.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.962 HD12 HG21 ' A' ' 94' ' ' THR . 12.2 mm -70.5 98.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 t -120.55 39.51 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -162.66 129.09 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 45' ' ' PHE . 2.7 m -129.58 154.56 80.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.77 165.06 77.65 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.732 -1.779 . . . . 0.0 112.328 0.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.962 HG21 HD12 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -133.41 153.78 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -140.96 110.05 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -113.4 104.95 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.07 103.16 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -97.07 119.51 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HZ2' HD13 ' A' ' 40' ' ' LEU . 11.6 tptt -120.08 98.59 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.549 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 4.0 t-20 72.18 47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 m 60.12 32.9 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.25 125.43 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -69.46 121.84 17.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 28.7 pt -116.82 -28.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.598 ' CG ' ' CE1' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -142.42 160.75 39.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -161.59 133.2 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.6 tt -117.77 110.49 17.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -95.62 125.59 40.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.46 150.08 12.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.09 87.3 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 65.5 m80 -115.21 111.24 20.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -59.5 9.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.78 -49.76 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.342 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 4.4 tp10 -50.29 -35.0 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 119' ' ' VAL . 51.3 tp -64.77 -61.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.1 m -45.16 -54.49 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -41.99 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.629 ' HD2' HD12 ' A' ' 107' ' ' LEU . 33.6 mttp -55.6 -55.42 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 115' ' ' LEU . 65.3 t -45.8 -60.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -53.14 -56.45 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -42.78 -63.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.598 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 45.5 m-70 -57.28 -54.43 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . -34.14 -34.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 122' ' ' HIS . 10.1 t 58.03 54.75 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.0 t -90.16 -179.23 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -112.35 94.05 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 128' ' ' SER . 54.2 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 127' ' ' PRO . 3.2 m -35.44 119.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.0 t -88.47 92.14 9.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t -93.53 101.89 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.867 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -55.81 -50.19 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.1 -131.73 2.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -97.35 140.88 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.868 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -51.15 -62.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.59 -151.47 15.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 ttt -166.57 105.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.2 166.96 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.37 135.99 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.6 -156.93 10.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.82 150.45 46.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.13 97.06 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -57.66 159.41 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.05 130.4 55.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.13 119.37 28.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.539 HG12 ' H ' ' A' ' 19' ' ' ALA . 96.8 t -106.58 132.58 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -100.88 41.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.539 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -125.05 153.84 42.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.6 p -83.57 111.72 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -79.16 149.04 32.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.42 129.13 43.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 29' ' ' PHE . 86.6 t -104.66 103.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.01 36.72 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 p -174.3 139.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.69 92.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.84 74.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.78 -51.66 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 43' ' ' VAL . 24.2 t80 -62.26 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 33' ' ' LEU . 57.6 mt-10 -44.2 -36.44 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -75.27 -55.28 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.719 HD23 HD11 ' A' ' 41' ' ' LEU . 2.4 tp -52.04 -26.69 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 30' ' ' GLU . 13.5 mt -54.01 -43.33 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 10.8 ptt180 -79.8 -43.68 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.5 mt -56.15 -56.94 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB2' HD13 ' A' ' 41' ' ' LEU . 70.5 mmtt -92.92 40.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -42.66 59.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.92 -47.77 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -83.29 169.31 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 123' ' ' ALA . 57.8 tp -81.79 124.88 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.719 HD11 HD23 ' A' ' 32' ' ' LEU . 8.3 tp -99.28 141.15 32.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -131.26 103.17 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 29' ' ' PHE . 91.0 t -93.31 107.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.493 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 9.9 t-80 -100.28 125.21 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.753 ' HB3' HG12 ' A' ' 92' ' ' VAL . 14.1 m-85 -82.93 111.79 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -115.98 147.09 41.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.547 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -128.92 142.02 43.68 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.547 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 17.9 p-90 -119.1 -47.29 2.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 119.17 29.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.78 -30.42 22.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' ALA . 11.5 mt-30 -46.12 -55.18 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -40.46 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -48.5 -69.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -61.94 -51.87 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' ASN . 18.1 mmt -44.78 -63.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' MET . 27.1 t30 -34.36 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.41 -55.77 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -46.11 -45.74 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.59 -63.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.97 -43.8 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.12 -40.32 97.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 60.3 mt -70.66 -42.94 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 72' ' ' PHE . . . -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.765 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 55.3 pttt -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -45.69 -40.58 9.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.62 94.62 42.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.25 37.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.12 16.14 11.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.98 137.51 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.594 ' HB3' HD12 ' A' ' 41' ' ' LEU . 18.0 t -101.08 116.15 32.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 90.2 m-85 -104.58 117.83 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 32' ' ' LEU . 34.6 m -127.08 139.45 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.8 113.77 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.5 tt -106.65 140.03 40.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -49.16 -45.81 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.65 -26.32 50.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.19 -40.42 55.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.0 t -128.57 82.14 69.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.35 37.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -57.34 -52.11 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.07 -45.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.8 m -49.11 -37.6 22.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.71 -58.71 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -41.17 -61.87 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 98.1 m-85 -80.03 -13.35 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 84' ' ' SER . 30.1 mt-10 63.44 45.88 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 45' ' ' PHE . 29.6 mm -81.29 92.07 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.8 p -110.25 38.93 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.2 p -158.5 141.78 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.753 HG12 ' HB3' ' A' ' 45' ' ' PHE . 29.5 m -145.07 151.25 48.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.5 Cg_endo -69.77 164.91 78.04 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.378 -0.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.469 HG21 HD12 ' A' ' 89' ' ' ILE . 85.5 m -160.9 115.72 2.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 53.5 m-85 -98.09 145.63 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.9 mt -134.15 108.78 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -79.0 125.91 30.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -123.2 123.23 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -122.24 100.31 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 74.85 39.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 t 66.99 34.1 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -147.31 126.03 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -68.42 119.81 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 22.9 pt -106.87 -29.71 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -145.93 173.08 12.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -157.84 142.91 16.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -130.03 117.64 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -103.26 140.1 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.27 156.93 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.71 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.23 106.89 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.087 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 64.7 m80 -128.27 115.42 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.757 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.18 -58.64 5.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.552 0.692 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.757 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.79 -45.88 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 9.6 tt0 -54.06 -47.21 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.948 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.6 tp -57.55 -54.34 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.3 m -55.05 -51.32 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -47.08 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -57.69 -47.41 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 115' ' ' LEU . 85.8 t -50.36 -54.76 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.97 -49.38 77.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -52.42 -62.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 123' ' ' ALA . 64.5 m-70 -59.62 -46.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.453 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -34.06 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 122' ' ' HIS . 27.2 t -72.65 94.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.5 p -92.28 153.95 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -108.62 163.55 12.71 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 136.69 33.59 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.8 m -79.75 -43.47 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.3 t -44.6 146.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -99.49 88.81 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -68.98 -56.97 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.13 109.88 1.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -170.21 117.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.899 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -83.4 48.6 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.5 155.65 31.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.7 tpp -119.57 -55.44 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.94 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.01 127.98 35.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -134.72 83.08 0.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . 72.17 41.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.47 150.54 22.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -133.73 142.66 48.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.8 37.74 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.14 120.23 12.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 19' ' ' ALA . 61.2 t -114.68 131.4 66.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.11 44.69 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -124.89 153.88 41.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.21 109.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.61 127.46 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.97 103.84 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.521 HG13 ' HB3' ' A' ' 28' ' ' GLN . 61.4 t -53.27 116.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.24 -36.44 55.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 p -160.91 172.27 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.12 -46.56 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 -45.91 48.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.521 ' HB3' HG13 ' A' ' 23' ' ' VAL . 21.4 tt0 -59.51 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CE1' HG21 ' A' ' 43' ' ' VAL . 32.4 t80 -68.18 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 33' ' ' LEU . 8.3 mm-40 -42.74 -41.63 3.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.05 -53.78 34.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.781 HD23 HD11 ' A' ' 41' ' ' LEU . 4.5 tp -49.9 -44.75 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 101' ' ' SER . 15.7 mt -40.31 -43.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -73.28 -53.97 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 mt -53.99 -62.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -83.09 39.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.44 -47.02 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -58.86 -47.34 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -80.87 175.86 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 122' ' ' HIS . 26.2 tp -89.72 135.52 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 32' ' ' LEU . 6.9 tp -112.71 141.49 46.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.77 104.65 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 29' ' ' PHE . 93.8 t -94.57 98.43 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 0.6 OUTLIER -93.48 121.34 34.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.764 ' HB3' HG12 ' A' ' 92' ' ' VAL . 17.8 m-85 -80.44 110.62 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 35.8 p-90 -110.53 146.9 35.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.606 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -132.57 143.12 47.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.26 9.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.379 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.606 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 69.7 p-90 -109.94 -45.2 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . . . -60.87 111.32 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 50' ' ' ALA . 53.8 Cg_endo -69.73 -10.56 28.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -66.72 -50.1 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 11.8 t -38.98 -33.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.78 -70.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.64 ' O ' HG23 ' A' ' 59' ' ' VAL . 24.9 pt20 -70.78 -52.05 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.441 ' SD ' ' HB1' ' A' ' 110' ' ' ALA . 28.4 mmm -43.21 -26.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -74.21 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -28.19 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 55' ' ' GLN . 89.1 t -65.73 -38.51 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 mtm -73.46 -39.97 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.89 -52.34 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.89 -40.75 85.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.36 -37.81 83.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.67 -57.16 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -44.56 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -51.8 -43.88 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -116.28 94.45 42.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.95 37.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -90.41 17.91 6.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 71' ' ' SER . 53.2 t -125.95 156.81 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.611 ' HB2' HD12 ' A' ' 41' ' ' LEU . 20.2 m -125.17 103.39 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 79.0 m-85 -92.31 115.36 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.3 124.45 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -103.5 123.49 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.8 tt -115.85 136.09 53.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 79' ' ' GLY . 0.9 OUTLIER -84.85 107.81 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.16 -52.08 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.06 -25.13 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OE1' ' A' ' 76' ' ' GLU . . . -74.3 -61.41 3.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.1 t -107.92 81.41 1.21 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.181 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.12 19.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -44.66 -40.35 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.27 -51.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 88' ' ' GLU . 50.0 m -44.96 -39.93 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -58.6 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 9.1 tttp -38.86 -62.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 88.3 m-85 -79.71 -14.21 58.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' SER . 57.5 mt-10 64.32 47.23 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.628 HG21 ' CD2' ' A' ' 45' ' ' PHE . 26.4 mm -82.63 93.14 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.2 p -108.81 39.26 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -158.01 139.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 45' ' ' PHE . 32.7 m -145.15 151.03 47.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.8 Cg_endo -69.78 164.07 80.25 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.298 -0.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.564 HG21 HD12 ' A' ' 89' ' ' ILE . 16.0 m -161.09 113.45 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 24.9 m-85 -93.72 142.38 27.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.44 HD12 ' HE1' ' A' ' 45' ' ' PHE . 15.8 mt -129.64 110.32 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -81.26 115.85 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -117.83 111.7 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -115.77 107.43 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 72.39 41.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.416 ' HA ' HD22 ' A' ' 33' ' ' LEU . 16.4 p 58.87 29.88 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -145.01 110.51 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.431 ' HD2' HD22 ' A' ' 96' ' ' LEU . 16.3 ttpp -55.05 128.09 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 105' ' ' ASP . 40.0 pt -115.78 -34.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 104' ' ' ILE . 10.2 t70 -144.63 171.39 14.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 31.6 ttt180 -160.42 145.16 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.4 tt -125.79 118.25 25.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -102.97 137.18 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.11 140.06 9.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.692 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -66.14 97.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 70.8 m-70 -121.08 113.6 20.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.71 -58.2 8.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.68 -51.18 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.0 tp10 -49.58 -44.65 47.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 119' ' ' VAL . 64.5 tp -53.37 -58.44 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 96.7 m -49.38 -44.2 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -47.4 -61.8 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.534 ' HD2' HD12 ' A' ' 107' ' ' LEU . 33.9 mttp -61.41 -43.99 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.773 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 87.0 t -52.54 -43.84 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -66.34 -48.3 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -60.22 -59.11 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.497 ' C ' HD22 ' A' ' 40' ' ' LEU . 59.5 m-70 -63.43 -39.03 93.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 119' ' ' VAL . . . -34.11 -39.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 123' ' ' ALA . 84.8 p -36.55 110.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.5 p -55.06 -14.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.67 -157.61 7.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.59 8.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.0 p -109.65 154.08 23.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.8 p -82.34 86.03 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -173.46 130.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -162.01 169.9 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 148.03 4.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -139.02 160.88 38.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -130.34 150.04 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.31 84.16 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 mtt -128.46 133.22 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.06 120.79 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.32 131.42 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.69 71.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.34 40.28 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.79 120.46 38.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -127.77 122.48 32.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.3 119.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -149.91 136.83 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.8 138.54 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' ' 65' ' ' LYS . . . -83.48 37.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.42 153.98 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -89.63 141.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.44 146.35 23.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -98.03 106.07 18.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.623 HG13 ' HB3' ' A' ' 28' ' ' GLN . 69.3 t -89.58 99.55 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.46 37.07 4.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.0 p -173.67 144.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -61.77 -38.92 89.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.77 -43.39 91.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.623 ' HB3' HG13 ' A' ' 23' ' ' VAL . 11.6 tt0 -59.54 -50.69 72.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.8 t80 -66.26 -63.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.643 ' HA ' HD12 ' A' ' 33' ' ' LEU . 36.2 mt-10 -46.2 -39.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -70.74 -55.73 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.443 HD23 HD11 ' A' ' 41' ' ' LEU . 5.1 tp -51.12 -35.52 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 30' ' ' GLU . 15.8 mt -46.45 -36.44 6.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 9.2 ptp180 -80.81 -43.17 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 58.5 mt -60.32 -57.1 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB2' HD13 ' A' ' 41' ' ' LEU . 54.3 mmtt -91.77 39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.73 -58.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -45.17 -46.38 12.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -83.92 173.83 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.5 tp -86.36 133.42 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 36' ' ' LYS . 10.9 tp -109.19 141.37 41.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t -128.17 105.81 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 29' ' ' PHE . 88.0 t -95.85 102.39 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -93.77 132.45 38.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.755 ' HB3' HG12 ' A' ' 92' ' ' VAL . 9.2 m-85 -92.29 122.26 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.533 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.4 p-90 -124.21 132.94 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.541 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -112.46 147.5 37.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 111.125 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.02 3.88 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.541 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 34.6 p-90 -119.79 -54.33 2.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -50.24 107.64 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.513 0.673 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.95 3.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -75.82 -54.31 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.5 p -42.71 -24.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.0 -70.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG3' ' SD ' ' A' ' 56' ' ' MET . 23.5 pt20 -67.28 -52.23 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 27.0 mmm -42.3 -40.26 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -62.73 -46.87 86.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.21 -43.09 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.11 -43.84 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.3 mtp -58.21 -55.65 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.46 -50.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -64.83 -37.02 86.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' MET . 43.2 mt -66.2 -43.13 87.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.44 -53.67 21.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 8.8 ptpt -66.67 -45.28 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -53.21 -46.31 69.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 39.8 mt -112.73 94.12 27.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.7 -15.52 37.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -98.42 27.26 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 72.0 t -129.94 151.93 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.8 m -117.99 108.69 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.441 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 80.8 m-85 -100.33 125.41 46.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -137.25 128.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -108.8 126.92 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.545 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.9 tt -121.1 141.97 50.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 10.2 tt0 -85.61 113.5 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -48.19 -46.59 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.09 -27.73 61.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.13 -48.0 34.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.527 ' HB ' HD11 ' A' ' 75' ' ' LEU . 82.0 t -116.47 85.59 16.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -27.47 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.719 2.28 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 12.4 tt0 -53.38 -54.72 32.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.88 -46.62 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 m -53.42 -36.65 61.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.61 -56.27 13.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' HD3' ' CE2' ' A' ' 87' ' ' TYR . 20.5 tttm -45.57 -60.24 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 95.2 m-85 -77.73 -12.45 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 62.4 45.2 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 94' ' ' THR . 26.3 mm -79.27 87.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -104.68 39.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.7 p -161.54 142.0 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.755 HG12 ' HB3' ' A' ' 45' ' ' PHE . 31.3 m -145.14 151.36 48.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.843 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.8 Cg_endo -69.75 165.1 77.47 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.379 -0.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.754 HG21 HD12 ' A' ' 89' ' ' ILE . 13.4 m -159.66 119.0 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -100.11 145.18 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.1 mt -132.0 105.07 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 98.3 m-85 -79.0 126.18 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.13 130.4 53.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -123.47 103.98 8.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.0 41.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m 66.98 31.55 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -148.41 118.84 7.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.03 117.53 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.1 pt -104.71 -32.89 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 104' ' ' ILE . 6.8 t70 -141.79 172.7 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 17.7 ttt180 -162.27 143.1 10.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.887 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.5 tt -127.45 118.11 23.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.74 137.92 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.21 143.88 11.1 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -68.13 102.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 68.8 m80 -125.47 113.67 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.52 -59.04 6.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.77 -46.71 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.8 tp10 -54.84 -42.55 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 21.0 tp -58.21 -59.39 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.4 m -44.26 -43.29 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -52.68 -59.88 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.887 ' HD2' HD12 ' A' ' 107' ' ' LEU . 35.8 mttp -59.97 -44.0 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.4 t -55.12 -62.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -60.28 -45.47 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -53.6 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 123' ' ' ALA . 72.4 m-70 -60.85 -45.76 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.444 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -33.82 -40.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 t -49.95 113.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 t -122.59 78.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 60.13 140.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 107.39 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 34.6 m -96.49 86.13 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p -132.97 169.14 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 81.0 p 36.69 42.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 110.906 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -114.66 173.17 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.87 -88.85 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m 59.48 42.08 18.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 m -94.96 147.67 23.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.13 139.01 10.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ttm -54.58 -57.21 12.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.73 79.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.14 115.72 17.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.82 -58.83 0.9 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.81 119.24 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.74 157.44 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -51.28 120.56 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.23 94.97 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.47 118.52 35.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.7 t -98.21 118.75 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.69 54.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.56 153.75 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 ' HD3' ' A' ' 74' ' ' LYS . 98.2 t -74.98 124.82 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -87.25 127.71 35.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.22 115.2 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.81 HG13 ' HB3' ' A' ' 28' ' ' GLN . 87.3 t -101.84 90.36 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' C ' ' CG2' ' A' ' 80' ' ' VAL . . . -101.58 37.43 3.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.647 ' N ' HG21 ' A' ' 80' ' ' VAL . 42.0 p -173.52 139.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.42 -56.07 15.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.18 -45.86 8.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.81 ' HB3' HG13 ' A' ' 23' ' ' VAL . 31.8 tt0 -51.24 -54.78 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.586 ' HB2' HG11 ' A' ' 23' ' ' VAL . 40.0 t80 -66.02 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -44.37 -41.15 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.36 -55.0 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 41' ' ' LEU . 5.3 tp -53.09 -50.28 64.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.505 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.8 mt -34.35 -34.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LEU . 73.1 mtt180 -79.25 -60.16 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -50.62 -50.5 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HB2' HD13 ' A' ' 41' ' ' LEU . 31.9 mmtp -88.95 40.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.35 19.7 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -122.05 -49.44 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -88.24 163.5 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.8 tp -68.21 111.78 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.881 HD12 ' HB3' ' A' ' 71' ' ' SER . 8.2 tp -91.84 135.73 33.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -125.94 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 29' ' ' PHE . 87.8 t -97.92 109.9 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.449 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 8.4 t-80 -98.6 134.08 42.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' HE1' HD12 ' A' ' 96' ' ' LEU . 12.3 m-85 -93.06 115.52 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.9 p-90 -114.8 139.82 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -128.26 142.0 43.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.4 36.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.496 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 51.4 p-90 -91.7 -34.86 14.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -82.23 112.27 34.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -8.68 24.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' ALA . 72.7 mt-30 -69.21 -53.64 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -38.8 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -60.01 -69.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -52.11 -37.73 55.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.1 mmt -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -56.12 -57.52 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 4.0 pt-20 -55.17 -31.79 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 55' ' ' GLN . 79.3 t -68.38 -40.15 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.449 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 82.3 mtp -61.02 -58.94 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.05 -60.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.79 -40.34 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -35.45 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 -60.15 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -62.54 -48.65 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.9 -42.36 59.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.2 mt -114.35 90.72 21.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -21.69 33.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.52 21.12 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 71' ' ' SER . 69.8 t -130.45 154.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.881 ' HB3' HD12 ' A' ' 41' ' ' LEU . 10.4 t -120.15 116.83 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -102.58 114.4 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG2' HG22 ' A' ' 43' ' ' VAL . 28.7 m -128.53 123.6 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HD3' HG11 ' A' ' 20' ' ' VAL . 50.9 pttt -99.79 130.67 46.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 75' ' ' LEU . 8.8 tt -112.69 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 79' ' ' GLY . 58.1 tt0 -82.92 103.35 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.03 -39.14 59.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -96.74 22.05 8.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 76' ' ' GLU . . . -123.94 -36.0 0.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.647 HG21 ' N ' ' A' ' 25' ' ' SER . 60.8 t -129.04 77.76 77.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -6.9 19.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.18 -32.29 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.02 -39.45 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 72.1 m -56.75 -32.07 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 86' ' ' LYS . 16.6 pt-20 -68.48 -47.85 66.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 39.5 tttp -52.82 -57.53 9.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -81.83 -11.43 58.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 62.25 44.64 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.576 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 28.7 mm -81.19 85.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -107.46 38.97 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -156.6 138.48 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.543 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 17.0 m -145.28 150.45 44.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.78 160.71 87.63 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 m -161.19 118.12 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 115' ' ' LEU . 27.4 m-85 -97.2 152.1 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.599 HD12 ' HE1' ' A' ' 45' ' ' PHE . 25.5 mt -135.08 105.5 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -82.75 119.23 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -115.44 137.24 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -125.54 93.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 70.8 49.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.505 ' HA ' HD22 ' A' ' 33' ' ' LEU . 24.4 m 62.72 36.53 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -150.95 112.59 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -59.05 116.27 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.5 pt -105.73 -34.19 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.457 ' N ' HG13 ' A' ' 104' ' ' ILE . 21.5 t70 -141.69 171.77 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 18.6 ttt180 -163.11 148.83 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.5 tt -133.81 122.21 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.504 ' N ' HD23 ' A' ' 107' ' ' LEU . 7.8 p30 -109.11 135.52 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.55 166.01 26.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.58 88.38 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 32.5 m80 -115.81 113.76 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.55 -57.9 6.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.73 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -48.64 -46.07 39.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.947 ' O ' HG23 ' A' ' 119' ' ' VAL . 35.2 tp -54.47 -55.0 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 -49.99 75.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -48.61 -54.19 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.531 ' HD2' HD12 ' A' ' 107' ' ' LEU . 34.9 mttm -61.71 -47.75 83.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 115' ' ' LEU . 59.2 t -52.16 -53.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -66.99 -39.55 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -49.31 -61.22 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 83.5 m-70 -67.62 -51.3 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.564 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -47.74 -38.95 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.2 t -82.83 -54.79 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.0 m -144.63 129.23 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.49 -171.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.9 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 127' ' ' PRO . 10.0 p -35.89 138.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.9 m -107.88 102.61 11.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -92.74 83.74 4.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -173.54 141.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.31 161.95 14.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -142.09 169.87 16.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -157.55 120.67 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.95 -164.03 15.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -126.68 168.77 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.55 128.43 42.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.5 99.92 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.54 -69.22 1.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 47.27 38.76 7.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.59 117.94 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -46.93 117.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.15 126.8 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.01 158.69 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.9 t -93.21 139.62 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -91.91 39.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.02 147.85 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 72' ' ' PHE . 7.5 p -77.15 130.99 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -95.7 156.75 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -108.21 140.26 41.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.88 117.58 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.6 21.7 10.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.7 p -163.39 138.78 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -59.71 -33.78 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.05 -40.09 96.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.41 -52.31 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.354 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.38 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 33' ' ' LEU . 43.8 mt-10 -50.22 -37.32 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -56.91 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 7.8 tp -50.97 -44.66 60.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 19.1 mt -35.21 -40.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -77.02 -41.71 41.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . 36.2 mt -63.98 -55.85 19.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -95.52 39.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -74.93 -46.89 32.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.9 p -80.31 174.76 11.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD13 ' HE2' ' A' ' 99' ' ' LYS . 57.6 tp -92.03 119.07 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 71' ' ' SER . 13.1 tp -98.45 147.95 24.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.97 107.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.81 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -95.5 128.8 42.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.737 ' HB3' HG12 ' A' ' 92' ' ' VAL . 17.7 m-85 -89.62 112.28 23.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -120.6 137.22 54.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -130.66 142.57 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.5 14.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.673 2.248 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.542 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 48.0 p-90 -107.94 6.95 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.12 123.17 26.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.449 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 54.3 Cg_endo -69.75 -36.36 10.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.95 -48.15 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.4 m -52.99 -16.07 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 51' ' ' PRO . . . -64.04 -64.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.2 pt20 -62.34 -41.37 98.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 mmt -51.59 -45.87 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -59.1 -45.28 91.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 29.2 mt-10 -65.17 -48.16 74.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' GLN . 69.5 t -48.9 -49.14 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 mtm -59.18 -41.43 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 58' ' ' GLU . . . -43.84 -50.06 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.29 -47.26 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.04 -43.14 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.68 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.802 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 29.2 mttm -72.48 -42.72 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.35 -42.24 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.04 95.8 43.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.611 0.719 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -43.85 2.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -56.92 -26.48 59.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.4 t -85.02 125.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.1 m -99.3 101.27 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 20' ' ' VAL . 73.9 m-85 -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 73' ' ' VAL . 27.1 m -117.3 124.33 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -106.03 123.99 48.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 80' ' ' VAL . 2.8 tt -121.66 144.28 48.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.25 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.35 -51.83 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.13 -27.62 64.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.37 -44.84 57.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.631 ' HB ' HD11 ' A' ' 75' ' ' LEU . 45.2 t -127.42 83.91 64.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 111.173 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -23.98 30.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 11.3 tp10 -50.93 -54.21 26.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.77 -48.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.0 m -47.98 -40.0 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.93 -54.96 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -42.49 -62.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.26 -13.91 59.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' SER . 29.8 mt-10 65.95 43.8 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.604 HD11 HD11 ' A' ' 96' ' ' LEU . 31.3 mm -77.99 84.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -103.87 39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -160.08 140.63 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' A' ' 45' ' ' PHE . 23.1 m -144.99 151.61 49.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 111.061 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.3 Cg_endo -69.78 165.04 77.74 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.286 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 HD12 ' A' ' 89' ' ' ILE . 58.6 m -160.85 120.12 2.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.32 143.19 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.604 HD11 HD11 ' A' ' 89' ' ' ILE . 27.4 mt -133.48 111.09 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.12 127.03 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -124.44 118.08 25.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HE2' HD13 ' A' ' 40' ' ' LEU . 18.7 mmtt -118.22 119.34 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.488 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 28.0 t30 59.55 32.22 21.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 102' ' ' GLN . 9.9 t 69.32 45.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 101' ' ' SER . 17.2 mt-30 -161.07 112.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.491 ' HD2' HD22 ' A' ' 96' ' ' LEU . 37.3 ttpt -55.05 131.59 45.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 105' ' ' ASP . 9.2 pt -127.47 -28.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.468 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.8 t70 -137.95 165.06 27.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -160.15 139.8 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.0 tt -123.76 120.11 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.433 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.8 m-20 -111.22 129.57 55.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.55 127.0 5.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.9 102.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 43.2 m80 -130.02 113.75 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.65 -58.39 5.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.0 Cg_endo -69.81 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 6.3 tp10 -48.9 -46.39 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 119' ' ' VAL . 47.1 tp -53.4 -57.02 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.409 HG22 ' CD ' ' A' ' 120' ' ' GLN . 66.1 m -50.45 -57.03 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -42.06 -61.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.76 -53.44 55.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 115' ' ' LEU . 90.0 t -46.57 -52.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.409 ' CD ' HG22 ' A' ' 116' ' ' THR . 58.7 mt-30 -63.38 -52.54 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -41.21 -51.11 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.447 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 89.2 m-70 -74.87 -49.28 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.452 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -41.07 -42.68 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.056 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 123' ' ' ALA . 29.2 t -34.64 102.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.0 p -84.44 172.68 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -114.92 -168.51 15.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 1.27 4.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.9 p 49.37 47.0 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p -72.54 -175.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -91.81 176.19 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -118.64 176.28 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.36 154.2 25.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -146.9 149.21 32.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 m -159.25 111.75 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.26 99.54 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -147.88 111.89 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.0 118.36 36.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.4 -49.4 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.79 47.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.93 101.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.55 108.49 19.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' OE2' ' HB2' ' A' ' 16' ' ' ALA . 1.4 pp20? -69.57 150.09 47.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' GLU . . . -36.91 108.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' HB2' ' OE2' ' A' ' 14' ' ' GLU . . . -138.72 120.2 14.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 19' ' ' ALA . 92.6 t -86.42 125.92 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.17 46.51 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -124.55 150.44 45.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.88 128.26 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.34 142.35 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -99.65 109.46 21.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 29' ' ' PHE . 87.1 t -97.7 108.94 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.68 34.79 5.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.491 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 84.3 p -171.34 146.77 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.94 95.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.587 ' HB3' HG13 ' A' ' 23' ' ' VAL . 14.7 tt0 -63.24 -51.54 65.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.3 t80 -58.34 -62.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -48.11 -38.72 18.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 41' ' ' LEU . 2.5 tp -45.43 -47.92 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD23 HD22 ' A' ' 41' ' ' LEU . 14.9 mt -42.15 -35.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -68.39 -56.39 8.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 35' ' ' LEU . 3.8 mm? -59.44 -51.14 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' HD13 ' A' ' 41' ' ' LEU . 48.4 mmtt -89.2 36.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.15 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -76.68 -27.19 55.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 m -91.51 148.21 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 123' ' ' ALA . 37.7 tp -67.66 117.01 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.651 HD11 HD23 ' A' ' 32' ' ' LEU . 7.6 tp -98.34 144.18 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.7 t -136.93 105.43 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.581 HG21 ' CE1' ' A' ' 29' ' ' PHE . 94.2 t -90.94 111.57 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -97.64 128.41 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CG ' HG21 ' A' ' 89' ' ' ILE . 24.5 m-85 -91.58 110.05 21.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -111.33 142.51 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -124.35 143.92 44.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.491 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 13.6 p-90 -110.66 -60.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 107.68 0.65 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -82.69 -49.16 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 p -47.93 -19.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.05 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.4 pt20 -58.74 -42.71 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.9 mmt -54.97 -29.31 56.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.87 -63.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -49.8 -39.45 38.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 55' ' ' GLN . 92.7 t -59.63 -40.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.3 mtp -59.02 -62.18 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.75 -51.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.1 -39.67 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' MET . 77.3 mt -69.72 -42.78 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -41.08 -61.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -65.64 -44.42 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.39 -36.11 41.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' CD1' HG12 ' A' ' 119' ' ' VAL . 16.6 mt -125.41 92.85 46.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.4 Cg_endo -69.8 -15.48 36.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -95.37 20.19 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 71' ' ' SER . 95.7 t -126.15 156.4 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.493 ' HB2' HD12 ' A' ' 41' ' ' LEU . 50.6 m -122.42 111.35 16.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -100.91 122.44 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.461 HG11 ' CD2' ' A' ' 32' ' ' LEU . 35.3 m -135.05 125.1 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.13 134.41 44.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.598 ' C ' HD23 ' A' ' 75' ' ' LEU . 6.2 tt -123.54 132.91 54.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLY . 31.9 tt0 -80.09 107.75 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.58 -42.5 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.68 -19.81 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -77.55 -55.39 4.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 25' ' ' SER . 69.6 t -114.01 82.04 6.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.02 28.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.6 -54.16 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.23 -45.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.0 m -44.89 -43.17 8.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.81 -59.93 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 7.2 tmtm? -39.07 -61.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 95.1 m-85 -79.59 -12.65 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 84' ' ' SER . 33.1 mt-10 63.9 41.52 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.79 HD12 HG21 ' A' ' 94' ' ' THR . 38.6 mm -81.77 85.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -109.39 39.47 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.57 151.31 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 30.9 m -145.79 151.51 46.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.76 165.16 77.36 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.33 -0.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.79 HG21 HD12 ' A' ' 89' ' ' ILE . 61.3 m -160.83 122.18 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.484 ' CD2' HD11 ' A' ' 115' ' ' LEU . 30.8 m-85 -109.88 149.97 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.43 HD11 HD11 ' A' ' 89' ' ' ILE . 28.0 mt -137.53 106.24 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -80.41 126.27 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -122.09 124.65 44.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -119.29 102.29 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.0 t30 72.93 32.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t 74.34 34.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -148.39 121.84 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -64.28 128.94 37.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 29.7 pt -124.65 -24.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -146.42 168.24 21.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 12.2 ttt180 -162.89 145.86 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.681 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.9 tt -130.54 113.21 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.78 117.64 34.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.437 ' C ' ' HG2' ' A' ' 93' ' ' PRO . . . 123.08 151.91 8.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.73 84.33 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.7 m-70 -116.19 113.56 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -66.81 -59.16 8.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.83 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 13.9 tp10 -46.67 -39.08 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 119' ' ' VAL . 31.2 tp -65.47 -57.27 8.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.9 m -47.99 -56.4 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -44.29 -57.26 3.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.681 ' HD2' HD12 ' A' ' 107' ' ' LEU . 50.2 mttm -56.78 -48.6 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 115' ' ' LEU . 64.1 t -53.7 -46.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -66.57 -51.54 55.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -47.01 -58.55 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 123' ' ' ALA . 79.1 m-70 -66.5 -44.38 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 119' ' ' VAL . . . -37.22 -40.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.6 m -42.83 104.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 p -99.55 113.4 25.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.68 -98.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 90.66 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.39 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.2 p -112.31 146.49 38.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.1 m -73.68 -46.84 43.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t 50.6 42.31 26.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -127.79 165.83 19.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.4 122.55 1.03 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -109.85 135.16 51.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -150.56 119.42 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.14 106.91 0.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.2 ttm -160.33 107.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.16 125.6 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.88 148.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.64 92.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.11 112.61 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.45 135.69 43.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -111.29 112.03 23.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.59 86.23 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.25 119.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.1 t -103.64 135.3 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -96.05 36.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.65 152.2 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 t -74.87 141.57 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' HB2' HG12 ' A' ' 73' ' ' VAL . 4.7 mm-40 -96.7 135.11 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -94.34 126.73 39.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 28' ' ' GLN . 9.5 t -92.73 129.59 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.16 -21.11 18.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.4 p -166.41 164.01 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.11 -25.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.87 -51.89 56.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.903 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -60.67 -47.27 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.921 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 43' ' ' VAL . 37.5 t80 -66.34 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.55 -25.65 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -48.66 9.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.667 HD23 HD11 ' A' ' 41' ' ' LEU . 1.5 tp -61.37 -16.7 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.7 mt -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -80.89 -39.79 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.38 -52.38 65.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HB2' HD13 ' A' ' 41' ' ' LEU . 40.1 mmtt -96.11 26.45 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.46 69.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -78.36 158.83 28.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 123' ' ' ALA . 26.5 tp -79.1 115.55 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.667 HD11 HD23 ' A' ' 32' ' ' LEU . 9.3 tp -95.85 141.27 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -132.14 104.22 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 29' ' ' PHE . 24.7 t -85.98 128.06 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 3.6 t-80 -118.85 126.08 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' HB3' HG12 ' A' ' 92' ' ' VAL . 33.7 m-85 -89.72 116.68 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.413 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 35.3 p-90 -124.44 139.88 53.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.624 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -123.12 143.03 39.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -6.21 18.03 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.624 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 46.4 p-90 -105.87 -40.63 5.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.99 114.98 33.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -6.39 18.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.61 -61.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.7 p -38.15 -33.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -70.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.543 ' NE2' ' SD ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -53.31 -31.6 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.543 ' SD ' ' NE2' ' A' ' 55' ' ' GLN . 47.0 mmm -72.29 -34.31 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -59.76 -46.89 87.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.12 -57.19 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.37 -47.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' LEU . 42.0 mtp -49.83 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -35.1 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.47 -45.62 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' MET . 33.5 mt -64.85 -44.87 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.03 -54.9 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.652 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.83 -42.2 81.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LEU . 25.1 mt -132.61 88.97 37.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.552 0.692 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.39 7.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -67.08 -5.85 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 83.9 t -104.64 145.48 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -114.62 106.53 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 60.8 m-85 -94.37 131.78 39.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 32' ' ' LEU . 23.9 m -141.38 131.86 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 153.64 20.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 tt -143.08 130.77 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.69 108.02 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.64 -40.32 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.95 -18.9 52.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.3 -60.58 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.45 81.85 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.135 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -25.48 28.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -51.29 -42.68 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 68.9 t -78.79 -54.93 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.7 m -44.96 -43.41 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.8 mt-10 -55.85 -59.69 4.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -36.87 -63.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 59.6 m-85 -78.48 -10.17 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLU . 21.8 mt-10 62.28 42.9 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 96' ' ' LEU . 4.9 mm -77.47 84.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -102.83 40.28 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 m -157.76 136.89 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 45' ' ' PHE . 6.0 m -144.95 153.36 53.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.819 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.6 Cg_endo -69.75 160.53 87.85 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.354 -0.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -159.85 133.46 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -110.94 155.46 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 89' ' ' ILE . 30.6 mt -146.57 107.45 4.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -81.11 123.5 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 72.3 m-85 -116.06 111.68 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' HD13 ' A' ' 104' ' ' ILE . 1.9 tptm -107.0 110.94 23.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.08 40.56 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.3 m 63.38 36.31 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -150.09 114.35 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -56.82 124.49 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 99' ' ' LYS . 49.3 pt -117.82 -29.87 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.436 ' OD2' ' NE2' ' A' ' 122' ' ' HIS . 13.1 t0 -149.44 155.87 41.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.26 141.9 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.556 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.3 tt -115.44 127.59 55.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.414 ' N ' HD23 ' A' ' 107' ' ' LEU . 41.9 t0 -108.8 134.65 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.23 143.09 9.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.819 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -66.31 107.72 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.457 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 94.8 m-70 -134.06 119.87 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.31 -60.02 5.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.697 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.0 tt0 -46.63 -36.17 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 119' ' ' VAL . 44.1 tp -67.89 -58.33 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.2 m -48.27 -46.06 35.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -53.1 -58.84 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 50.4 mttm -57.12 -37.8 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 115' ' ' LEU . 58.0 t -63.01 -50.49 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.62 -49.14 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -47.77 -57.28 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.5 m-70 -69.49 -47.98 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.43 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -39.41 -45.2 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.0 p -160.79 153.69 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.5 t -102.67 163.14 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -77.82 -157.0 8.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 112.79 3.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.8 t -61.04 137.11 58.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.2 t -134.51 97.4 3.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -108.45 125.1 51.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -121.81 123.16 41.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.26 160.08 28.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -160.8 157.79 27.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -127.69 146.81 50.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -148.37 -60.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.8 ptm 35.92 42.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.723 0.297 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.36 41.85 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.25 90.34 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.98 133.15 2.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 131.98 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.9 113.34 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.42 141.18 55.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.23 103.51 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.06 142.43 43.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.7 t -98.44 132.15 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' HB1' ' N ' ' A' ' 65' ' ' LYS . . . -120.55 49.69 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.01 153.93 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -80.46 135.1 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -87.64 150.04 23.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -105.22 113.0 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.758 HG11 ' HB2' ' A' ' 29' ' ' PHE . 61.7 t -99.66 111.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.51 36.52 3.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.1 p -174.19 141.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.86 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.84 -45.33 61.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -58.53 -53.62 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.758 ' HB2' HG11 ' A' ' 23' ' ' VAL . 43.8 t80 -62.2 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.755 ' HA ' HD12 ' A' ' 33' ' ' LEU . 11.4 mm-40 -50.29 -36.96 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 32' ' ' LEU . 4.1 tm-20 -67.94 -50.47 55.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 6.7 tp -56.95 -45.0 83.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 30' ' ' GLU . 7.4 mt -36.32 -44.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -61.62 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.51 -50.9 51.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' CB ' HD13 ' A' ' 41' ' ' LEU . 54.8 mmtt -90.1 40.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.77 -49.48 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -62.72 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 170.6 14.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 123' ' ' ALA . 24.9 tp -89.59 114.85 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 36' ' ' LYS . 12.5 tp -92.03 144.83 25.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.72 107.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 29' ' ' PHE . 91.2 t -91.32 137.09 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.98 126.37 46.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HB3' HG12 ' A' ' 92' ' ' VAL . 21.0 m-85 -90.42 111.85 23.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 76' ' ' GLU . 34.2 p-90 -114.74 134.66 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -114.74 141.62 27.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.555 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 18.1 p-90 -120.17 -43.99 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 111.43 6.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -0.8 7.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -80.28 -44.06 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 29.3 p -52.63 -19.68 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -69.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -52.64 -38.57 60.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 4.7 mmt -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 53' ' ' CYS . 18.6 m-20 -54.32 -42.48 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.57 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.1 -46.91 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 63' ' ' LEU . 78.8 mtp -49.14 -60.75 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.48 -49.97 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -56.84 -32.11 65.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 59.8 mt -79.7 -42.69 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.75 -63.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 22.0 pttp -62.68 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -52.25 -38.32 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD11 ' NE2' ' A' ' 120' ' ' GLN . 16.5 mt -126.45 91.46 47.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -15.14 36.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -90.08 17.56 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 71' ' ' SER . 90.4 t -128.99 156.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 70' ' ' VAL . 2.1 m -122.0 109.18 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -95.99 112.69 24.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 m -122.51 127.42 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -106.07 135.19 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.2 tt -129.32 136.06 49.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 28.5 tt0 -83.7 114.28 21.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.21 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -69.4 -20.01 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.08 -45.24 10.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 75' ' ' LEU . 52.8 t -120.02 82.59 29.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -27.04 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.69 -51.02 68.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.4 t -71.95 -53.22 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.9 m -45.9 -39.48 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -62.17 -56.62 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -45.15 -58.99 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -78.11 -13.15 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' SER . 46.0 mt-10 62.38 41.58 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.9 mm -77.82 83.69 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.2 t -103.99 39.28 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -158.24 139.09 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.656 HG12 ' HB3' ' A' ' 45' ' ' PHE . 30.9 m -144.92 151.36 48.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.74 161.42 86.17 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.362 -0.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.427 HG21 HD12 ' A' ' 89' ' ' ILE . 16.8 m -160.94 117.6 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.33 151.08 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.562 HD12 ' HE1' ' A' ' 45' ' ' PHE . 18.6 mt -137.84 107.04 6.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.556 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 58.7 m-85 -78.99 124.97 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 93.0 m-85 -122.89 118.99 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 104' ' ' ILE . 5.9 mmtp -116.28 116.57 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 56.93 41.98 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.424 ' HA ' HD22 ' A' ' 33' ' ' LEU . 49.5 m 63.74 37.99 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' C ' ' A' ' 101' ' ' SER . 73.8 mt-30 -152.27 107.5 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -56.59 121.43 9.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 20.2 pt -113.6 -26.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.556 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 30.9 t70 -140.4 168.01 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -163.06 139.06 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.717 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.0 tt -126.7 127.02 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.467 ' N ' HD23 ' A' ' 107' ' ' LEU . 2.6 p30 -115.9 135.42 54.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.3 141.96 12.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.434 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -62.33 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 61.0 m80 -122.52 111.26 16.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.7 -59.09 4.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.699 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.74 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -48.72 -45.06 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 119' ' ' VAL . 44.4 tp -54.92 -57.99 9.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 117' ' ' LYS . 42.3 m -46.38 -63.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 116' ' ' THR . 41.6 mttp -35.99 -62.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.717 ' HD2' HD12 ' A' ' 107' ' ' LEU . 40.1 mttm -55.25 -51.95 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.5 t -49.31 -64.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.402 ' NE2' HD11 ' A' ' 67' ' ' LEU . 29.9 mm-40 -55.37 -51.98 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -46.06 -54.04 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 62.6 m-70 -71.55 -24.46 61.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB2' HD23 ' A' ' 40' ' ' LEU . . . -87.43 21.99 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 t -107.85 43.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.2 t -109.74 148.58 31.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 62.56 -111.75 4.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 152.5 69.23 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.2 p -128.63 110.59 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.1 p -165.41 114.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -94.85 87.35 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.38 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -157.79 134.1 9.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.56 137.14 35.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -82.6 161.11 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -110.03 96.09 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.08 96.91 1.8 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.1 tpt -121.9 105.0 9.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.97 41.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.33 92.35 3.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.51 44.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.83 92.68 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' C ' ' CD ' ' A' ' 14' ' ' GLU . . . -170.74 137.97 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' CD ' ' C ' ' A' ' 13' ' ' ALA . 15.4 mp0 -151.13 153.82 35.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.97 125.47 29.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.0 108.82 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.785 HG12 ' H ' ' A' ' 19' ' ' ALA . 84.3 t -104.19 133.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.877 ' HB1' ' HB3' ' A' ' 65' ' ' LYS . . . -101.11 31.5 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.785 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -123.83 152.17 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 72' ' ' PHE . 44.9 t -81.91 127.4 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' HG12 ' A' ' 73' ' ' VAL . 51.5 mt-10 -77.99 140.29 39.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.74 119.91 38.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 75' ' ' LEU . 43.1 t -76.28 119.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.25 -32.71 16.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -160.53 170.85 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -50.15 -58.83 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.19 -46.76 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.549 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -59.49 -46.81 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 43' ' ' VAL . 34.2 t80 -70.61 -60.79 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' HA ' HD12 ' A' ' 33' ' ' LEU . 74.6 mt-10 -47.18 -40.18 15.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -66.63 -54.99 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LEU . 2.0 tp -52.85 -47.13 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 30' ' ' GLU . 10.3 mt -34.45 -42.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 5.7 mpt_? -74.16 -56.73 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mt -47.72 -56.94 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' HD13 ' A' ' 41' ' ' LEU . 70.9 mmtt -89.59 40.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.75 -45.71 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -60.56 -22.94 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -110.5 159.82 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.6 HD22 ' C ' ' A' ' 122' ' ' HIS . 18.7 tp -70.81 131.29 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.703 HD12 ' HB2' ' A' ' 71' ' ' SER . 12.3 tp -107.09 152.49 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.9 t -140.82 107.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.635 HG21 ' CE1' ' A' ' 29' ' ' PHE . 69.8 t -97.97 98.3 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 4.4 t-160 -90.55 113.89 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.773 ' HB3' HG12 ' A' ' 92' ' ' VAL . 11.8 m-85 -72.42 103.46 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 31.9 p-90 -98.58 133.48 42.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -115.2 146.19 35.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.54 20.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -89.62 -46.95 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -55.63 108.66 1.25 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.75 35.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.32 -42.26 69.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -46.69 -22.9 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.54 -67.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.24 -43.86 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.404 ' HE1' ' HA ' ' A' ' 112' ' ' ALA . 36.1 mmt -56.16 -17.23 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -82.52 -52.57 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -66.9 -35.08 79.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' GLN . 50.2 t -58.75 -39.32 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 mtm -70.76 -45.35 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.27 -55.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HA ' ' HZ2' ' A' ' 65' ' ' LYS . 17.3 mm-40 -53.23 -38.51 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 116' ' ' THR . 56.5 mt -74.27 -34.3 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -58.23 -52.28 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.877 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 6.0 pttm -71.02 -36.2 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.66 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -116.42 94.04 41.67 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.84 37.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.5 pm0 -88.79 13.02 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 71' ' ' SER . 68.4 t -122.97 156.42 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.703 ' HB2' HD12 ' A' ' 41' ' ' LEU . 27.7 m -123.95 111.17 15.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 93.7 m-85 -100.67 111.96 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.654 HG12 ' HB2' ' A' ' 21' ' ' GLU . 17.6 m -123.03 122.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.89 124.24 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.482 HD12 HG11 ' A' ' 23' ' ' VAL . 1.3 tt -117.08 142.95 46.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 20.9 tt0 -85.68 116.4 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -58.38 -33.25 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -91.92 -21.83 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.89 5.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.71 81.16 5.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -28.26 25.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -46.72 -44.95 19.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.2 t -80.73 -48.34 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 88' ' ' GLU . 25.0 m -47.11 -41.27 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.6 -57.29 11.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -43.82 -58.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.18 -13.52 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' SER . 28.5 mt-10 63.28 47.71 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 23.3 mm -84.52 89.31 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -105.11 39.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -160.54 136.87 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.774 HG21 ' HB2' ' A' ' 47' ' ' ALA . 31.0 m -143.86 151.25 52.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.735 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.79 164.61 78.85 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.362 -0.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 HD12 ' A' ' 89' ' ' ILE . 21.2 m -160.58 115.77 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 31.7 m-85 -95.03 139.46 31.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 35.2 mt -126.02 112.98 16.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.517 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 63.6 m-85 -84.17 117.68 23.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 96' ' ' LEU . 64.5 m-85 -121.22 112.48 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.527 ' HE3' HD13 ' A' ' 40' ' ' LEU . 18.0 mttt -114.75 111.29 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.2 t30 71.56 39.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 p 61.56 36.11 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -150.46 116.9 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -59.67 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 105' ' ' ASP . 25.3 pt -118.14 -28.39 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.517 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 25.7 t70 -142.82 167.98 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -162.0 134.83 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.521 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.4 tt -118.73 114.74 23.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.79 128.45 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.74 135.66 9.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.07 109.14 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 52.1 m80 -135.85 117.0 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.78 -60.11 4.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 5.5 tp10 -49.78 -37.21 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 119' ' ' VAL . 32.1 tp -66.24 -61.77 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.644 HG23 HD21 ' A' ' 63' ' ' LEU . 46.7 m -43.99 -57.47 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -43.66 -62.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.521 ' HD2' HD12 ' A' ' 107' ' ' LEU . 40.3 mttm -53.5 -42.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 115' ' ' LEU . 84.3 t -58.49 -61.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -52.16 -52.49 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -52.85 -62.6 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.6 ' C ' HD22 ' A' ' 40' ' ' LEU . 72.4 m-70 -64.12 -13.4 47.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.12 22.82 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.9 t -117.83 74.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.9 t -146.65 162.9 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 86.13 98.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.8 Cg_endo -69.79 2.63 3.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 127' ' ' PRO . 22.0 m -35.26 -56.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.0 p -72.66 134.86 45.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -55.71 111.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.388 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -163.94 137.49 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 111.89 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 m -135.36 128.34 31.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.9 p -146.49 163.91 34.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.45 128.06 12.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 131.89 26.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.324 . . . . 0.0 110.824 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.16 112.93 15.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.06 127.12 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.47 -107.77 2.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.05 84.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.22 81.01 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -129.76 112.12 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.7 127.93 12.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.9 105.81 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.4 t -119.83 121.82 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' O ' ' HB1' ' A' ' 64' ' ' ALA . . . -120.38 39.19 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.21 152.64 38.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG11 ' HD2' ' A' ' 74' ' ' LYS . 80.5 t -76.41 113.27 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.43 142.58 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.49 104.97 17.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 29' ' ' PHE . 66.3 t -94.08 107.5 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.63 39.24 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 p -172.96 136.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.77 -37.25 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -59.01 -47.94 88.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.611 ' HB3' HG13 ' A' ' 23' ' ' VAL . 60.7 tt0 -57.18 -49.25 76.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.7 t80 -66.77 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -49.29 -37.77 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 26.9 tt0 -66.82 -51.95 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD23 HD11 ' A' ' 41' ' ' LEU . 10.6 tp -53.97 -43.0 69.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.6 mt -38.28 -35.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 12.3 mtp-105 -77.39 -54.21 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.65 -54.65 41.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -87.62 40.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.03 -46.33 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -45.57 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.1 p -81.24 174.12 11.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.02 127.99 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD11 HD23 ' A' ' 32' ' ' LEU . 11.0 tp -102.52 143.19 32.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.57 103.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.1 t -92.72 117.6 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.437 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 7.6 t-80 -106.85 120.96 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' HG21 ' A' ' 89' ' ' ILE . 14.0 m-85 -79.5 120.14 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 21.0 p-90 -123.39 120.63 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' HG21 ' A' ' 92' ' ' VAL . . . -112.21 145.54 33.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.15 20.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.793 ' CH2' HG22 ' A' ' 92' ' ' VAL . 43.5 p-90 -112.54 13.24 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -122.69 108.69 32.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -26.8 27.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.14 -34.67 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.1 m -51.23 -20.58 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -67.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -37.68 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.9 mmt -66.3 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -63.17 -48.43 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.06 -57.74 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.3 t -47.85 -42.16 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.437 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 79.0 mtp -56.63 -64.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.2 -61.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -51.23 -46.04 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.9 mt -59.31 -50.14 75.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 18' ' ' ALA . . . -42.89 -57.46 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -67.27 -40.24 86.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.83 -36.27 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.86 90.74 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -15.73 36.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -88.35 9.22 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -123.45 150.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m -115.59 109.34 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -95.89 123.49 39.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.88 134.57 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' HD2' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -112.62 133.69 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.619 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.2 tt -128.06 144.29 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.571 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 38.4 tt0 -87.88 108.49 19.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.525 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -43.01 -52.28 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -68.87 -25.67 64.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.76 -40.6 44.91 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' HB ' HD11 ' A' ' 75' ' ' LEU . 60.9 t -124.63 81.25 60.71 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.561 0.696 . . . . 0.0 111.071 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.14 37.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.376 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.54 -44.42 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.4 t -79.1 -48.08 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' GLU . 75.3 m -50.1 -40.47 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -61.87 -53.14 59.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.532 ' HD2' ' CE1' ' A' ' 87' ' ' TYR . 10.7 ttmm -45.24 -60.88 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' A' ' 86' ' ' LYS . 84.1 m-85 -80.95 -11.71 59.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 84' ' ' SER . 84.7 mt-10 62.43 48.8 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 96' ' ' LEU . 22.1 mm -81.92 88.4 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.5 m -106.73 39.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.5 p -158.06 134.58 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.793 HG22 ' CH2' ' A' ' 49' ' ' TRP . 20.0 m -140.92 150.56 59.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.75 165.17 77.32 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.334 -0.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.57 HG21 HD12 ' A' ' 89' ' ' ILE . 18.5 m -160.46 130.78 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -109.15 147.87 31.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 89' ' ' ILE . 29.4 mt -141.1 107.78 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.96 123.48 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.25 117.05 28.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -110.38 124.81 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 50.81 31.71 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.579 ' HA ' HD22 ' A' ' 33' ' ' LEU . 6.3 t 74.93 30.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -144.78 115.3 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -59.09 127.12 30.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.9 pt -118.95 -22.8 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 13.1 t0 -155.4 163.51 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -157.26 138.12 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.1 tt -107.52 136.75 46.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.577 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -121.64 118.79 30.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.22 131.92 7.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.81 101.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 38.5 m80 -128.55 118.86 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.7 -59.5 5.58 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.77 -47.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.742 2.294 . . . . 0.0 112.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.491 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 10.7 tp10 -52.21 -44.4 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.783 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.2 tp -55.85 -54.53 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.7 m -56.14 -40.95 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -52.12 -60.52 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.682 ' HD2' HD12 ' A' ' 107' ' ' LEU . 36.5 mttm -59.41 -39.13 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.7 t -57.8 -50.69 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.41 -51.26 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -51.53 -48.6 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.0 m-70 -71.09 -41.59 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . -34.84 -36.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 122' ' ' HIS . 1.8 m -47.95 100.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 t -117.93 173.57 6.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.84 -96.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 156.14 64.32 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 t -164.79 172.03 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -110.14 101.38 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -69.87 -44.4 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m 57.18 41.84 26.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.31 72.84 0.46 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -131.57 100.18 5.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 p -106.7 151.29 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.05 55.74 0.53 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -46.91 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.85 41.4 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.14 41.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.67 108.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.04 159.7 20.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.78 103.66 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.8 91.4 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.1 110.82 17.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.6 143.03 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 19' ' ' ALA . 92.8 t -105.86 131.01 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -100.51 36.14 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.672 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -124.24 145.89 49.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -75.36 134.24 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -90.87 148.26 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -97.19 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.736 HG22 ' OE1' ' A' ' 28' ' ' GLN . 10.7 t -98.54 120.1 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.5 13.24 9.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.4 p -150.37 148.57 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.27 71.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -63.02 -44.27 97.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.736 ' OE1' HG22 ' A' ' 23' ' ' VAL . 5.8 tt0 -63.6 -44.93 92.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CE1' HG21 ' A' ' 43' ' ' VAL . 7.9 t80 -61.22 -62.86 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.88 -32.63 66.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -71.18 -26.48 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' CD2' HG11 ' A' ' 73' ' ' VAL . 7.0 tp -83.51 -32.9 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 33' ' ' LEU . 11.3 mt -47.3 -30.05 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 1.8 ptp180 -86.54 -38.08 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.01 -53.89 38.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 41' ' ' LEU . 27.1 mmtp -89.33 30.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -1.47 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -100.09 -30.95 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -105.73 174.57 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 123' ' ' ALA . 32.2 tp -82.22 109.56 16.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 36' ' ' LYS . 12.1 tp -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.08 102.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.6 t -85.65 110.27 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 95' ' ' PHE . 17.6 t-80 -101.19 116.43 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.965 ' CE2' HG21 ' A' ' 89' ' ' ILE . 3.1 m-85 -74.4 113.76 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -116.31 129.52 56.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.787 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -115.48 144.27 32.09 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.562 0.696 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.33 5.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.787 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 9.1 p-90 -112.6 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . . . -45.76 104.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 50' ' ' ALA . 53.6 Cg_endo -69.77 1.42 4.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.623 HE21 ' HB3' ' A' ' 110' ' ' ALA . 6.0 tt0 -82.21 -50.06 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 17.5 p -40.82 -36.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -35.79 -70.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.54 ' NE2' ' SD ' ' A' ' 56' ' ' MET . 3.6 pt20 -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.607 ' SD ' ' HB1' ' A' ' 110' ' ' ALA . 15.0 mmm -64.67 -27.02 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -70.06 -52.85 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' GLN . 28.0 t -63.23 -42.8 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LEU . 76.3 mtp -62.62 -60.8 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.55 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.58 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' MET . 29.8 mt -75.04 -40.82 60.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.55 36.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 10.6 ptpt -62.17 -46.39 89.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -58.17 -39.24 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.45 HD11 ' NE2' ' A' ' 120' ' ' GLN . 41.2 mt -118.36 87.27 29.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -23.85 30.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.318 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -73.72 -20.12 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 71' ' ' SER . 40.8 t -94.77 153.61 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.414 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.2 m -116.98 116.56 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.68 124.0 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' A' ' 32' ' ' LEU . 2.3 m -130.28 127.38 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -104.01 132.72 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.2 tt -127.12 133.69 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -82.14 110.33 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.01 -55.89 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' N ' ' OE2' ' A' ' 76' ' ' GLU . 20.5 mt-10 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.16 -39.72 18.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.83 81.05 69.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 111.115 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.39 16.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.97 -48.65 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.445 HG13 ' CE1' ' A' ' 87' ' ' TYR . 67.1 t -74.48 -47.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.7 m -48.99 -35.33 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.29 -52.27 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.89 -35.52 75.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.445 ' CE1' HG13 ' A' ' 83' ' ' VAL . 2.2 m-85 -95.47 -13.65 24.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 mt-10 62.68 30.16 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.965 HG21 ' CE2' ' A' ' 45' ' ' PHE . 3.0 mm -68.93 85.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -105.26 41.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 p -163.41 135.69 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' CB ' ' A' ' 45' ' ' PHE . 3.0 m -145.15 154.09 53.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.916 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 54.2 Cg_endo -69.72 162.15 84.62 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.368 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -154.55 124.59 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' A' ' 44' ' ' HIS . 31.1 m-85 -101.46 133.73 45.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.733 HD11 HD11 ' A' ' 89' ' ' ILE . 31.5 mt -120.08 110.73 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -81.39 125.25 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -123.63 111.99 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -108.14 110.21 21.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 67.95 39.16 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p 64.49 37.5 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -151.64 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.46 124.45 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.8 pt -119.55 -20.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -147.9 170.6 17.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -162.69 127.27 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -112.68 108.29 17.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -90.07 129.81 36.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.22 159.66 30.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.916 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -84.99 94.53 8.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 94.5 m-70 -114.75 112.76 23.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -65.35 -59.42 9.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.5 OUTLIER -50.56 -45.28 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 119' ' ' VAL . 58.1 tp -52.36 -56.85 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.3 m -51.59 -42.45 61.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -50.94 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.419 ' HD2' HD12 ' A' ' 107' ' ' LEU . 43.9 mttp -58.27 -48.89 79.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 115' ' ' LEU . 72.6 t -48.29 -58.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' A' ' 67' ' ' LEU . 35.7 mm-40 -62.16 -50.94 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -42.74 -61.08 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -67.38 -49.56 63.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.533 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -51.46 -16.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.5 t -107.12 101.27 10.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.7 p -93.74 -64.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -100.1 -153.13 27.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 128' ' ' SER . 54.2 Cg_endo -69.72 151.6 69.35 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 127' ' ' PRO . 11.1 t -34.6 128.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.0 m -141.6 109.0 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -104.45 113.42 26.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -140.8 137.66 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.78 137.93 49.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -139.79 127.1 21.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -167.1 106.5 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.99 46.43 0.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -88.49 133.0 34.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.84 78.81 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.24 40.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 97.28 1.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.4 110.67 22.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.15 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -118.38 98.92 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.47 126.89 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.38 172.67 17.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.39 133.55 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -102.59 48.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.49 153.08 29.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t -79.26 121.94 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.1 145.83 39.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.3 pm0 -100.96 122.66 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -86.7 117.34 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.07 -31.82 27.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.0 p -158.82 169.92 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -54.2 -51.95 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -35.91 -54.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.94 -58.25 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 30.4 t80 -47.18 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.05 -39.04 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.54 -43.1 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.769 HD23 HD11 ' A' ' 41' ' ' LEU . 2.5 tp -65.8 -35.94 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 13.1 mt -50.14 -38.23 38.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -74.39 -60.93 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.12 -56.21 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -86.65 41.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.18 -47.85 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -63.24 -41.69 99.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -81.78 157.64 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 tp -78.54 118.32 20.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.769 HD11 HD23 ' A' ' 32' ' ' LEU . 4.6 tp -97.9 137.33 36.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -123.11 103.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HA ' HG23 ' A' ' 73' ' ' VAL . 54.2 t -89.58 98.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -90.94 144.57 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 89' ' ' ILE . 18.0 m-85 -106.89 111.2 23.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -109.99 148.98 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -137.27 144.14 44.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.75 33.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.676 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 24.8 p-90 -91.26 -57.83 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -60.43 116.21 16.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.92 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 110' ' ' ALA . 8.0 mp0 -38.77 -48.0 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.8 -50.71 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -39.98 -52.97 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 8.6 mmt -52.67 -53.22 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -39.78 -53.24 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.26 -41.21 98.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG1' HD23 ' A' ' 115' ' ' LEU . 70.0 t -56.05 -53.02 43.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG2' HD21 ' A' ' 115' ' ' LEU . 8.6 mtm -61.1 -47.74 84.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.62 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.25 -56.28 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.641 HD21 ' OG1' ' A' ' 116' ' ' THR . 36.3 mt -42.78 -50.72 5.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.35 -42.96 43.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 19.9 mttm -66.15 -39.37 89.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -68.19 -43.53 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD11 ' HG2' ' A' ' 120' ' ' GLN . 5.7 mt -116.7 94.21 43.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.75 -28.35 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -65.71 -27.83 68.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.34 150.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.628 ' HB2' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.33 106.75 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 57.3 m-85 -96.03 128.56 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.536 HG23 ' HA ' ' A' ' 43' ' ' VAL . 31.5 m -138.77 121.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -102.15 131.95 48.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 80' ' ' VAL . 2.5 tt -125.2 140.28 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.99 109.93 19.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.15 -40.81 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -83.48 -28.03 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.03 -54.2 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.691 ' HB ' HD11 ' A' ' 75' ' ' LEU . 41.2 t -110.49 82.55 2.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.38 20.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 23.5 tp10 -46.34 -52.46 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.3 -51.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.9 m -43.97 -35.64 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -70.36 -54.71 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.548 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 32.1 ttmt -42.34 -62.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.548 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 86.4 m-85 -78.98 -14.16 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 66.88 45.37 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.722 HD11 HD11 ' A' ' 96' ' ' LEU . 40.6 mm -78.16 89.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.9 t -111.97 40.74 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.3 p -161.69 143.54 11.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 34.9 m -145.19 150.56 45.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.7 161.18 86.54 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.411 -0.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.1 m -161.13 118.94 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.6 ' CZ ' HD13 ' A' ' 115' ' ' LEU . 44.8 m-85 -102.06 154.07 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.722 HD11 HD11 ' A' ' 89' ' ' ILE . 35.1 mt -141.11 105.52 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 53.6 m-85 -79.18 124.53 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 38.8 m-85 -119.84 111.2 17.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.11 107.88 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 70.36 40.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m 64.26 33.39 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -149.31 128.32 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -68.24 134.09 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 105' ' ' ASP . 35.4 pt -124.77 -33.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.476 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 31.0 t70 -135.6 169.87 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -162.42 122.44 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 108' ' ' ASP . 1.5 tt -108.95 122.39 47.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.532 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.5 t70 -117.56 132.17 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.15 129.67 6.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . . . -51.85 103.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 74.4 m-70 -133.99 114.81 13.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.83 -58.23 5.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.3 Cg_endo -69.73 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 11.9 tp10 -48.26 -43.44 32.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.731 ' O ' HG23 ' A' ' 119' ' ' VAL . 30.8 tp -55.86 -62.1 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.641 ' OG1' HD21 ' A' ' 63' ' ' LEU . 97.3 m -50.82 -52.51 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -46.43 -60.98 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 29.2 mttm -55.99 -49.35 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 115' ' ' LEU . 89.6 t -50.34 -64.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.527 ' HG2' HD11 ' A' ' 67' ' ' LEU . 78.1 mt-30 -50.37 -57.05 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -43.32 -62.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 71.5 m-70 -60.96 -23.3 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.21 23.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t 43.75 38.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.7 t -84.42 94.31 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 127' ' ' PRO . . . 104.52 97.84 2.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 128' ' ' SER . 54.1 Cg_endo -69.79 102.73 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 127' ' ' PRO . 77.4 p 35.17 41.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.5 p -114.01 131.76 56.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 p -173.91 136.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -160.07 170.8 20.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.19 161.67 12.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -161.4 160.18 29.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -155.39 171.7 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.9 77.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 ttt -115.11 116.09 27.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.45 157.8 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.07 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.98 -54.7 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.28 124.75 1.8 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 45.28 41.72 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.87 41.23 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.52 132.7 47.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 41.89 41.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.77 122.01 32.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 19' ' ' ALA . 91.1 t -117.26 137.82 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HB1' ' C ' ' A' ' 64' ' ' ALA . . . -128.85 41.11 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -116.82 152.93 33.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -86.64 103.06 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.93 144.81 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -96.25 109.73 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 29' ' ' PHE . 90.5 t -88.52 102.53 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.44 31.75 8.16 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -170.87 138.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 83' ' ' VAL . . . -58.08 -40.62 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.1 -46.62 84.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.18 -50.0 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' HG21 ' A' ' 43' ' ' VAL . 31.1 t80 -59.81 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 33' ' ' LEU . 24.8 mt-10 -48.29 -38.87 19.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -67.58 -37.59 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 41' ' ' LEU . 4.8 tp -70.7 -36.78 73.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 30' ' ' GLU . 12.5 mt -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 35' ' ' LEU . 7.7 ptt180 -76.32 -37.26 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 34.7 mt -61.61 -54.26 45.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.809 ' HB2' HD13 ' A' ' 41' ' ' LEU . 64.9 mmtt -98.89 39.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -75.14 -59.51 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.44 -40.5 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.9 m -87.14 179.33 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.616 HD13 ' HE3' ' A' ' 99' ' ' LYS . 25.9 tp -92.73 116.08 28.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.809 HD13 ' HB2' ' A' ' 36' ' ' LYS . 10.3 tp -94.89 150.53 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -136.64 114.1 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.639 HG21 ' CE1' ' A' ' 29' ' ' PHE . 98.5 t -103.69 102.16 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 1.9 t-160 -94.83 122.58 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.59 ' HB3' HG12 ' A' ' 92' ' ' VAL . 13.3 m-85 -79.34 107.24 11.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 14.2 p-90 -106.85 134.43 50.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 144.95 55.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -20.39 34.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -101.37 21.2 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.44 111.07 15.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -46.9 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -48.06 -30.87 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 53.9 m -65.26 -46.63 79.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.69 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -56.71 -38.33 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.6 mmt -60.13 -20.67 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -82.95 -60.53 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.15 -30.26 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 55' ' ' GLN . 53.7 t -64.62 -45.42 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.1 mtm -60.64 -43.45 97.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.35 -50.59 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.82 -56.68 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.24 -48.75 6.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.453 ' C ' ' HB1' ' A' ' 18' ' ' ALA . . . -52.65 -42.48 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.59 -42.32 87.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.64 -41.75 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.477 HD11 ' OE1' ' A' ' 120' ' ' GLN . 13.7 mt -116.97 97.64 50.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.715 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.76 -38.71 7.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -57.03 -33.69 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.48 152.95 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.781 ' HB3' HD12 ' A' ' 41' ' ' LEU . 1.9 t -124.99 113.61 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.39 132.87 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.74 127.38 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -106.08 127.35 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.7 tt -117.17 132.7 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 26.8 tt0 -76.23 104.45 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.558 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -42.95 -49.65 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.43 -26.67 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.92 33.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 83' ' ' VAL . 80.9 t -113.5 82.85 6.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -19.68 36.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.38 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -63.85 -48.18 77.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 26' ' ' ALA . 86.5 t -73.95 -60.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' GLU . 13.6 m -37.37 -43.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.41 -46.35 80.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 87' ' ' TYR . 21.2 ttpt -48.92 -44.39 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 86' ' ' LYS . 8.0 m-85 -96.77 -10.75 26.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' SER . 41.7 mt-10 63.31 46.14 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.66 HD12 HG21 ' A' ' 94' ' ' THR . 23.6 mm -84.31 84.28 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -101.13 39.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -159.23 141.43 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.59 HG12 ' HB3' ' A' ' 45' ' ' PHE . 27.1 m -145.11 151.36 48.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.581 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 53.9 Cg_endo -69.78 165.23 77.23 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 -1.822 . . . . 0.0 112.349 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.66 HG21 HD12 ' A' ' 89' ' ' ILE . 29.6 m -160.71 113.66 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 26.6 m-85 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.531 HD12 ' HE1' ' A' ' 45' ' ' PHE . 19.9 mt -128.8 106.08 8.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.26 120.79 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 72.8 m-85 -121.59 117.24 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.616 ' HE3' HD13 ' A' ' 40' ' ' LEU . 9.4 mmtp -112.46 126.68 55.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.542 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 2.8 m120 52.24 38.25 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.47 ' HA ' HD22 ' A' ' 33' ' ' LEU . 23.3 t 67.25 35.78 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -152.64 118.49 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.21 135.09 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 105' ' ' ASP . 7.4 pt -123.34 -25.96 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 104' ' ' ILE . 7.4 t70 -152.15 173.37 15.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -161.77 137.15 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.9 tt -107.84 113.07 26.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.54 129.76 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.28 150.36 23.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.581 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -69.66 126.93 31.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 45.9 m80 -153.33 117.05 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -71.7 -58.58 3.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.082 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.76 -42.36 3.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.28 -39.11 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 119' ' ' VAL . 33.5 tp -58.8 -54.03 51.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 88.8 m -55.08 -51.76 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -44.42 -60.09 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -58.2 -46.07 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.4 t -52.18 -62.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' OE1' HD11 ' A' ' 67' ' ' LEU . 12.0 mm-40 -55.21 -54.62 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -47.87 -55.93 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -66.14 -25.71 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.72 23.51 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 125' ' ' SER . 6.2 m 47.58 40.93 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.831 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 124' ' ' SER . 12.4 t 36.76 41.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 133.73 172.65 12.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.72 3.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.6 p -39.8 107.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.1 m -127.25 165.8 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -60.92 170.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -143.33 135.93 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.44 144.06 30.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -120.65 123.68 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -101.48 107.65 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.26 81.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -102.21 87.41 3.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.38 84.97 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.73 88.64 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.46 58.8 2.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.91 54.22 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.42 118.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -76.71 156.69 32.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.08 134.63 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.25 141.79 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 t -115.24 125.31 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB1' ' C ' ' A' ' 64' ' ' ALA . . . -102.74 53.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.05 153.18 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.19 107.27 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -73.58 146.18 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.87 128.62 44.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -113.45 114.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.42 32.68 4.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -166.63 134.56 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -57.89 -41.57 82.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.37 -36.57 77.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.439 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -65.59 -49.19 69.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 43' ' ' VAL . 28.8 t80 -61.67 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.44 -34.16 66.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.25 -47.3 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' ARG . 7.1 tp -59.45 -46.13 89.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . 24.3 mt -36.73 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' LEU . 31.8 mtp180 -79.68 -47.14 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 18.1 mt -61.49 -56.56 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -91.01 39.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.93 -66.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -53.57 -38.63 64.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -77.08 163.01 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 122' ' ' HIS . 64.3 tp -82.77 127.0 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD11 HD23 ' A' ' 32' ' ' LEU . 12.2 tp -110.81 147.24 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -134.81 109.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 29' ' ' PHE . 99.5 t -94.85 102.88 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -92.85 119.76 32.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CD2' HG21 ' A' ' 89' ' ' ILE . 12.2 m-85 -81.41 121.3 26.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.406 ' CE2' ' HG3' ' A' ' 76' ' ' GLU . 21.9 p-90 -124.73 128.86 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -111.84 142.8 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -7.16 20.39 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 67.3 p-90 -103.38 -32.56 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.79 109.2 28.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.699 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -20.75 34.09 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 110' ' ' ALA . 13.8 tp60 -55.06 -26.18 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.4 p -59.52 -17.23 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -68.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.92 -38.93 70.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.8 mmt -59.34 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -74.84 -41.38 59.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.56 -44.44 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.01 -39.89 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.411 ' HG2' HD21 ' A' ' 115' ' ' LEU . 8.6 mtm -69.41 -49.49 54.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.04 -52.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.05 -53.78 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.771 HD13 HG21 ' A' ' 119' ' ' VAL . 31.7 mt -43.61 -59.76 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' C ' ' HB1' ' A' ' 18' ' ' ALA . . . -39.88 -44.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 46.5 mttt -64.61 -46.56 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -63.08 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HG12 ' A' ' 119' ' ' VAL . 4.2 mt -120.71 90.7 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.04 36.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -84.13 7.86 17.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 71' ' ' SER . 73.7 t -112.67 157.98 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.3 m -126.78 105.37 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.407 ' HZ ' HG11 ' A' ' 119' ' ' VAL . 84.8 m-85 -93.68 115.35 27.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.18 128.41 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -104.7 131.12 52.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.9 tt -124.14 151.0 44.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 tt0 -96.68 120.78 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.19 92.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -78.58 -27.1 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.15 -33.37 40.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.29 81.03 50.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.45 25.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 27.8 tp10 -45.29 -54.85 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.54 -46.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . 11.9 m -53.6 -34.11 57.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -66.02 -59.92 3.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 12.0 tttm -43.71 -57.39 3.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 96.8 m-85 -80.3 -14.72 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 84' ' ' SER . 13.6 mt-10 63.01 42.8 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.648 HG21 ' CD2' ' A' ' 45' ' ' PHE . 15.6 mm -77.79 85.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -103.56 41.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.1 p -158.26 136.0 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.623 HG12 ' HB3' ' A' ' 45' ' ' PHE . 29.1 m -144.52 151.28 50.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 54.1 Cg_endo -69.71 159.98 88.63 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.361 -0.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.3 m -158.16 121.45 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -98.66 152.61 19.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.41 HD11 HD11 ' A' ' 89' ' ' ILE . 14.6 mt -139.2 106.79 5.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 79.9 m-85 -80.24 111.83 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -110.58 119.27 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -112.09 126.38 55.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 49.89 34.42 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 72.16 32.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -147.41 113.51 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.02 131.41 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.9 pt -119.43 -32.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.3 t0 -152.88 147.87 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 6.9 ttm180 -131.5 143.66 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.599 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.3 tt -122.45 109.77 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -104.81 125.59 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.11 123.84 5.21 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.642 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -50.61 106.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 37.8 m80 -135.12 119.72 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.08 -59.89 4.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.73 -47.98 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 5.8 tp10 -49.64 -36.07 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.73 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.2 tp -66.17 -59.31 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.453 HG23 HD21 ' A' ' 63' ' ' LEU . 94.5 m -50.05 -44.97 51.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -52.74 -59.94 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.599 ' HD2' HD12 ' A' ' 107' ' ' LEU . 32.1 mttm -56.08 -41.24 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.771 HG21 HD13 ' A' ' 63' ' ' LEU . 57.7 t -58.51 -62.68 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.27 -54.83 18.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -50.07 -56.71 9.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 45.3 m-70 -68.56 -8.18 39.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -100.96 13.41 35.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 m 45.92 36.84 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 56.5 p -115.33 151.03 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.26 152.97 5.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -111.03 160.44 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.0 p -87.17 114.18 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -90.79 86.69 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p -105.49 111.25 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 167.09 23.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -152.66 159.94 43.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -135.91 166.45 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.74 152.75 17.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.7 mtm -139.47 161.55 37.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 125.85 25.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.09 -51.67 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.34 141.0 11.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.2 127.42 32.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 111.073 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.88 128.82 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -109.3 150.86 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.32 114.28 9.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.36 122.28 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.2 t -91.75 128.36 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -124.47 41.09 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.4 150.0 46.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.9 p -78.93 117.94 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.06 158.04 35.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.27 131.0 56.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.4 t -83.36 123.52 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.3 -34.09 13.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 p -163.55 173.51 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . . . -48.21 -59.67 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.14 -57.01 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.75 -59.81 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 43' ' ' VAL . 36.8 t80 -55.03 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.5 -40.34 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.37 -58.74 5.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.2 tp -47.53 -49.54 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.6 mt -34.25 -50.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -57.07 -62.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.55 -53.57 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -89.92 42.36 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.77 -54.59 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.5 -43.88 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -72.53 179.53 3.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -99.0 132.71 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -112.46 143.11 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.1 105.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 29' ' ' PHE . 97.4 t -100.09 105.94 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 6.8 t-80 -94.78 139.55 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.7 m-85 -99.32 103.0 14.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -108.2 136.17 48.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB1' ' CE2' ' A' ' 49' ' ' TRP . . . -113.01 139.03 22.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.2 3.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.629 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 22.2 p-90 -117.93 -53.04 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.629 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -53.06 119.92 18.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -3.44 12.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ALA . 35.6 mt-30 -73.92 -61.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 28.6 p -35.96 -31.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -39.45 -70.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 59' ' ' VAL . 22.4 pt20 -66.08 -52.97 43.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 24.1 mmm -40.58 -33.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.42 -67.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 7.1 pt-20 -47.74 -36.08 10.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.476 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 90.6 t -60.17 -39.91 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.9 mtp -66.07 -59.77 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.67 -40.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.13 -37.74 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 60' ' ' MET . 36.7 mt -70.26 -49.89 45.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.8 19.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.597 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 18.4 ptpt -65.37 -47.69 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.3 tp10 -54.0 -46.38 71.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.03 94.26 47.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.15 26.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 70' ' ' VAL . 7.6 pt20 -61.72 -33.77 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 71' ' ' SER . 48.7 t -79.97 153.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' HG12 ' A' ' 70' ' ' VAL . 61.2 m -116.36 101.63 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.42 ' C ' HG23 ' A' ' 20' ' ' VAL . 80.4 m-85 -91.23 126.81 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.454 ' CG2' HG22 ' A' ' 43' ' ' VAL . 20.9 m -135.16 122.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -98.39 131.68 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -127.29 124.34 38.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -70.36 122.89 20.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.39 74.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -84.67 -27.34 27.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.03 -52.6 8.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -112.05 79.4 2.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -40.92 4.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.224 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' A' ' 26' ' ' ALA . 3.9 pt-20 -40.07 -50.95 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.38 -57.82 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLU . 12.9 m -40.83 -42.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.44 -57.09 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -41.79 -61.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.13 -14.33 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' SER . 43.5 mt-10 65.55 41.76 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.639 HD11 HD11 ' A' ' 96' ' ' LEU . 23.7 mm -77.89 90.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -107.22 39.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.3 p -157.36 135.98 11.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 45' ' ' PHE . 20.1 m -145.62 150.46 43.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.608 0.718 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.7 Cg_endo -69.77 162.51 84.02 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.322 -0.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 m -161.41 126.91 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 27.5 m-85 -106.79 144.23 33.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 89' ' ' ILE . 85.3 mt -130.4 107.99 9.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -82.34 116.63 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.61 125.22 53.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -123.13 115.75 22.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 62.44 37.31 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 66.94 36.51 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -151.36 125.03 9.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -66.64 117.09 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.8 pt -105.29 -27.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 104' ' ' ILE . 12.5 t70 -156.36 156.95 34.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.501 ' CG ' HD23 ' A' ' 96' ' ' LEU . 4.1 tmm_? -146.69 147.68 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -102.37 129.33 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.06 158.18 25.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -81.37 94.06 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 53.0 m80 -122.07 113.26 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.49 -58.27 7.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.646 0.736 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.76 -49.58 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 26.9 tt0 -46.13 -45.55 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 47.7 tp -56.9 -65.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 m -38.51 -51.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -48.05 -62.1 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.417 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 25.2 mttp -54.29 -42.17 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.6 t -55.49 -54.04 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.01 -51.95 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -51.59 -61.99 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 39.9 m-70 -57.62 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -40.89 -34.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -175.08 129.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.3 p -62.64 -51.1 68.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.62 134.47 8.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.56 10.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 67.9 m -87.72 88.66 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.8 m 60.01 43.14 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 m -86.64 80.74 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -105.4 154.2 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.27 -149.43 27.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -153.61 129.68 10.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -155.98 158.13 37.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.63 119.77 0.71 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.17 154.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 161.26 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.45 150.95 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.0 -124.34 3.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.98 87.49 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.11 129.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HG2' ' N ' ' A' ' 15' ' ' ALA . 24.6 tt0 -152.57 151.19 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' N ' ' HG2' ' A' ' 14' ' ' GLU . . . -115.71 121.29 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.98 122.18 33.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.87 128.55 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.81 43.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.04 152.35 44.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.1 t -78.47 130.93 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HB2' HG12 ' A' ' 73' ' ' VAL . 3.5 mm-40 -76.66 157.94 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.86 116.63 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.733 HG11 ' HB2' ' A' ' 29' ' ' PHE . 99.1 t -107.83 107.87 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.09 37.48 3.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.43 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 80' ' ' VAL . 20.8 p -173.41 155.26 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.83 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.16 -41.73 96.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.507 ' HB3' HG13 ' A' ' 23' ' ' VAL . 46.9 tt0 -60.88 -53.89 51.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.733 ' HB2' HG11 ' A' ' 23' ' ' VAL . 7.0 t80 -61.35 -62.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -47.46 -39.64 16.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.68 -53.76 46.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.763 HD23 HD11 ' A' ' 41' ' ' LEU . 5.8 tp -49.54 -51.86 33.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD21 ' CG ' ' A' ' 98' ' ' PHE . 11.4 mt -34.28 -40.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -70.68 -60.82 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.76 -53.32 49.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -90.19 42.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.29 -47.6 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -57.26 -49.34 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -78.24 174.72 10.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 122' ' ' HIS . 19.5 tp -89.51 126.08 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.763 HD11 HD23 ' A' ' 32' ' ' LEU . 5.2 tp -105.84 149.02 26.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -138.27 110.79 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.643 HG21 ' CE1' ' A' ' 29' ' ' PHE . 96.0 t -99.7 99.63 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 18.9 t60 -88.53 132.05 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.716 ' HB3' HG12 ' A' ' 92' ' ' VAL . 11.8 m-85 -90.36 103.04 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.6 p-90 -98.93 136.04 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -122.46 144.07 41.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.87 6.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 22.6 p-90 -71.63 -51.54 22.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -67.68 112.31 10.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.71 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.56 28.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' CYS . 18.4 mp0 -62.03 -48.02 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 25.4 p -36.0 -37.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HA ' ' OD1' ' A' ' 57' ' ' ASN . . . -52.7 -70.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 59' ' ' VAL . 11.5 mm100 -37.3 -44.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 11.1 mmt -64.99 -58.65 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.511 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -40.27 -38.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.83 -53.32 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 55' ' ' GLN . 96.5 t -54.86 -43.17 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.79 -55.34 35.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.8 -51.33 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 21.0 mt -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.14 -59.35 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -67.05 -48.7 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -47.28 -47.31 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 29.9 mt -114.35 93.23 30.72 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.74 -15.61 37.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -96.12 24.96 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.46 139.31 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.639 ' HB2' HD12 ' A' ' 41' ' ' LEU . 69.6 m -104.76 105.32 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 63' ' ' LEU . 94.8 m-85 -95.6 120.27 35.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.618 HG12 ' HB2' ' A' ' 21' ' ' GLU . 15.6 m -134.26 130.23 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -108.26 129.73 55.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.536 HD23 ' N ' ' A' ' 76' ' ' GLU . 9.8 tt -116.65 141.13 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 37.7 tt0 -88.67 100.48 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -42.94 -43.5 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -77.36 -24.64 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -76.52 -41.07 25.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 25' ' ' SER . 81.8 t -127.26 82.94 67.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 111.1 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.79 37.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.18 -53.67 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.92 -43.64 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.0 m -52.67 -39.64 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.09 -57.02 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -42.83 -61.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -75.97 -12.66 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 62.67 43.67 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.691 HD12 HG21 ' A' ' 94' ' ' THR . 24.4 mm -79.38 92.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -109.08 39.6 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.9 p -161.58 141.67 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.716 HG12 ' HB3' ' A' ' 45' ' ' PHE . 27.0 m -145.16 151.17 47.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.75 165.14 77.38 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.331 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.691 HG21 HD12 ' A' ' 89' ' ' ILE . 21.7 m -156.53 119.27 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 44' ' ' HIS . 76.7 m-85 -101.66 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.556 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 31.1 mt -122.01 105.26 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -78.98 119.67 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -116.99 113.4 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -110.14 112.94 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.06 41.76 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m 62.71 37.21 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -154.25 112.76 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -55.45 127.39 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 105' ' ' ASP . 38.1 pt -119.91 -34.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 104' ' ' ILE . 9.9 t70 -136.98 169.34 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -163.04 143.56 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.579 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.6 tt -126.3 121.15 31.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' N ' HD23 ' A' ' 107' ' ' LEU . 8.9 p-10 -108.12 138.7 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.21 148.32 23.89 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.62 99.85 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 80.2 m-70 -127.91 117.24 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -70.67 -59.27 3.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -51.98 -43.89 63.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 119' ' ' VAL . 53.5 tp -54.98 -58.26 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' LYS . 90.0 m -48.93 -60.33 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' THR . 49.8 mttm -34.6 -67.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.579 ' HD2' HD12 ' A' ' 107' ' ' LEU . 45.5 mttp -52.28 -49.28 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 115' ' ' LEU . 99.5 t -51.05 -63.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -49.55 -57.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -46.49 -60.39 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.453 ' C ' HD22 ' A' ' 40' ' ' LEU . 63.9 m-70 -63.33 -23.52 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.95 23.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.5 t -91.26 78.6 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 91.6 p -151.12 135.59 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 127' ' ' PRO . . . 58.66 111.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.525 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.7 Cg_endo -69.74 2.64 3.35 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 127' ' ' PRO . 21.8 m -34.83 111.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.2 m 59.47 47.64 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 127' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.778 0.323 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.851 ' HB2' HG12 ' A' ' 73' ' ' VAL . 44.2 mt-10 -76.81 147.16 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -105.53 110.64 23.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 29' ' ' PHE . 24.5 t -95.79 118.39 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.34 23.3 7.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.7 p -165.99 148.64 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.69 71.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.11 -51.83 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 43' ' ' VAL . 21.0 t80 -63.14 -61.35 2.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -50.25 -31.7 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.88 -53.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.876 HD23 HD11 ' A' ' 41' ' ' LEU . 7.6 tp -52.9 -42.57 65.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt -35.47 -50.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -66.86 -56.55 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.21 -61.8 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HB2' HD13 ' A' ' 41' ' ' LEU . 13.6 mmtm -84.33 40.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -73.75 -49.67 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.92 -47.28 85.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.2 p -74.04 -178.47 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 123' ' ' ALA . 40.3 tp -99.77 114.96 28.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.876 HD11 HD23 ' A' ' 32' ' ' LEU . 8.6 tp -94.74 134.55 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -122.95 107.46 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.626 HG21 ' CE1' ' A' ' 29' ' ' PHE . 99.0 t -96.67 106.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -101.52 137.18 40.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 47.0 m-85 -95.81 107.34 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.586 ' CZ2' ' HG3' ' A' ' 76' ' ' GLU . 34.9 p-90 -106.75 146.81 30.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.603 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -130.56 138.62 33.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.31 4.51 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.603 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 60.1 p-90 -116.15 -50.97 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 121.91 53.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.461 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.78 -33.88 15.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -53.89 -46.76 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -54.62 -19.23 5.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 51' ' ' PRO . . . -60.22 -67.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.47 -40.63 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.424 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 13.3 mmt -53.75 -31.78 49.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -74.32 -44.91 50.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.16 -43.6 95.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.3 -45.56 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' ALA . 50.4 mtp -52.31 -55.35 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.39 -56.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -55.63 -61.34 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.33 -58.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.26 -37.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -71.74 -47.54 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -60.66 -42.42 96.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HB3' HG23 ' A' ' 70' ' ' VAL . 42.1 mt -109.67 89.64 7.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.6 37.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' HB1' ' A' ' 123' ' ' ALA . 4.9 pp0? -96.59 18.48 14.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 67' ' ' LEU . 91.2 t -118.51 154.55 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' HG12 ' A' ' 70' ' ' VAL . 44.9 m -119.78 115.28 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.52 110.71 22.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' A' ' 21' ' ' GLU . 29.3 m -122.36 127.96 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -106.37 131.14 53.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -118.55 146.73 44.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 12.9 mt-10 -85.87 112.92 21.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.88 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -79.72 -25.57 41.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.35 -39.78 87.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -125.43 81.15 64.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -5.74 16.92 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.33 -47.57 55.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.79 -45.35 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.2 m -52.32 -36.67 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.9 -56.17 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -46.54 -59.45 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -79.19 -10.42 59.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 84' ' ' SER . 36.8 mt-10 59.65 42.95 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 94' ' ' THR . 10.1 mm -81.45 93.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -115.57 41.32 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -159.63 142.1 13.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.52 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.5 m -143.55 154.1 59.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 111.086 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.647 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.4 Cg_endo -69.78 164.61 78.84 Favored 'Cis proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.362 -0.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 89' ' ' ILE . 17.6 m -157.91 123.87 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -110.98 139.11 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 28.7 mt -127.47 113.79 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -85.5 110.71 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 94.2 m-85 -109.12 116.47 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -119.84 119.96 35.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.427 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 13.0 t-20 63.3 37.3 11.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 p 61.78 36.3 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 104' ' ' ILE . 48.4 mt-30 -152.94 110.62 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.451 ' HD2' HD22 ' A' ' 96' ' ' LEU . 18.9 ttpp -51.6 126.81 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 102' ' ' GLN . 7.0 pt -120.45 -21.37 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -150.44 164.83 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.423 ' HG3' HD23 ' A' ' 96' ' ' LEU . 19.6 ttt180 -162.42 134.21 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.3 tt -115.14 122.24 45.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -106.27 134.56 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.62 154.95 30.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -77.76 98.86 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.4 m-70 -126.85 114.62 18.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.0 -59.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.0 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 1.6 tp10 -47.24 -36.78 9.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 119' ' ' VAL . 18.8 tp -65.99 -61.15 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 m -44.44 -49.66 9.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -47.47 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.587 ' HD2' HD12 ' A' ' 107' ' ' LEU . 29.6 mttp -56.27 -48.09 77.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 115' ' ' LEU . 92.9 t -50.92 -57.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -59.24 -51.65 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -41.53 -62.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' ALA . 66.5 m-70 -68.24 -53.77 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.482 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.817 0.341 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.5 141.1 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -95.81 109.71 21.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 29' ' ' PHE . 51.6 t -89.95 122.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.57 29.01 3.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 p -163.82 132.35 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.82 -53.55 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.38 -45.2 45.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -53.49 -48.91 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.484 ' HB2' HG11 ' A' ' 23' ' ' VAL . 34.0 t80 -65.97 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -50.32 -34.79 24.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.8 -45.23 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.72 HD23 HD11 ' A' ' 41' ' ' LEU . 2.3 tp -60.08 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' LEU . 11.5 mt -35.43 -41.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -74.17 -56.04 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.48 -56.19 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -87.83 38.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -44.88 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -63.26 -43.99 96.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -85.59 152.85 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.36 122.35 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.72 HD11 HD23 ' A' ' 32' ' ' LEU . 7.8 tp -97.33 130.14 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -118.98 103.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.0 t -81.35 152.84 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -142.83 121.43 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.7 ' HB3' HG12 ' A' ' 92' ' ' VAL . 23.8 m-85 -91.77 124.48 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -123.85 136.57 54.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -114.08 141.43 26.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.06 6.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 15.0 p-90 -117.31 -40.78 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -73.66 123.76 89.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -41.4 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' CYS . 55.2 mt-30 -37.09 -41.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 54' ' ' ALA . 12.2 p -36.09 -46.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' N ' ' SG ' ' A' ' 53' ' ' CYS . . . -62.98 -64.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.762 ' H ' ' NE2' ' A' ' 55' ' ' GLN . 2.3 mp0 -35.43 -38.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.2 -46.19 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ALA . 10.6 t30 -45.15 -52.02 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.71 -60.03 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -48.62 -40.04 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.2 mtp -56.44 -63.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.96 -54.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -51.58 -43.96 62.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.551 HD21 HG23 ' A' ' 116' ' ' THR . 33.7 mt -67.59 -52.66 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.7 -61.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -64.74 -41.32 96.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.86 -32.74 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 6.6 mt -134.71 92.68 19.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.71 -20.74 34.71 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.444 ' HG2' HG23 ' A' ' 70' ' ' VAL . 5.4 pm0 -74.35 -9.76 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.444 HG23 ' HG2' ' A' ' 69' ' ' GLN . 58.2 t -109.38 141.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -109.24 113.78 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 61.2 m-85 -95.2 119.11 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.494 HG11 HD22 ' A' ' 32' ' ' LEU . 19.9 m -125.51 131.15 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.0 tt -128.35 138.16 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -87.99 115.54 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.24 -54.45 21.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -66.01 -19.79 65.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.45 -55.24 4.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.87 78.6 2.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -5.53 16.41 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.0 t -93.52 -30.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' GLU . 19.5 m -60.88 -31.97 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 86' ' ' LYS . 11.4 pt-20 -70.27 -51.07 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 1.1 tmtp? -45.98 -52.05 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -90.49 -13.56 34.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 84' ' ' SER . 54.0 mt-10 66.79 40.7 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.768 HD11 HD11 ' A' ' 96' ' ' LEU . 13.6 mm -74.45 92.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -113.95 42.56 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 p -164.94 140.84 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.7 HG12 ' HB3' ' A' ' 45' ' ' PHE . 33.6 m -144.02 150.62 49.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.74 164.86 78.09 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.38 -0.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.637 HG21 HD12 ' A' ' 89' ' ' ILE . 12.7 m -154.18 132.5 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.549 ' CD2' HD11 ' A' ' 115' ' ' LEU . 47.3 m-85 -113.72 135.35 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.768 HD11 HD11 ' A' ' 89' ' ' ILE . 26.2 mt -127.46 105.7 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 78.9 m-85 -79.33 125.05 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 80.6 m-85 -126.72 112.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -111.04 106.11 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.04 41.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m 61.72 43.9 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -156.15 119.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -64.03 129.95 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 105' ' ' ASP . 15.5 pt -126.36 -31.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.528 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 16.3 t70 -139.09 167.52 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -163.01 138.77 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -125.13 111.57 15.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -99.13 140.6 33.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.64 167.93 38.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.32 103.43 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 111.081 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 93.2 m-70 -131.86 117.05 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.58 -60.01 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.72 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 28.0 tt0 -45.29 -36.66 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.549 HD11 ' CD2' ' A' ' 95' ' ' PHE . 26.3 tp -67.69 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.551 HG23 HD21 ' A' ' 63' ' ' LEU . 99.9 m -43.23 -45.19 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -49.94 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -53.59 -51.97 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 115' ' ' LEU . 91.9 t -47.5 -55.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 94.2 mt-30 -54.75 -56.25 21.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.61 -62.84 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -55.6 -37.43 68.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 120' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' HG2' ' A' ' 74' ' ' LYS . 62.1 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.782 0.325 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' HB2' HG12 ' A' ' 73' ' ' VAL . 16.6 mt-10 -72.45 144.59 48.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -98.91 111.81 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 29' ' ' PHE . 85.2 t -98.94 118.05 44.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.48 34.99 3.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 p -168.69 135.63 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -48.5 73.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.51 -41.02 63.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.82 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CE1' HG21 ' A' ' 43' ' ' VAL . 21.5 t80 -62.29 -57.47 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.68 -37.17 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.36 -51.9 46.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD23 HD11 ' A' ' 41' ' ' LEU . 4.7 tp -52.56 -47.19 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.783 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.6 mt -34.34 -44.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.89 -43.55 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.2 mp -60.58 -61.76 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB2' HD13 ' A' ' 41' ' ' LEU . 62.2 mmtt -87.79 38.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.45 -52.04 13.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -48.71 -43.4 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -88.27 171.53 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.6 tp -84.48 123.44 30.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.668 HD11 HD23 ' A' ' 32' ' ' LEU . 7.4 tp -100.1 141.27 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.79 102.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.529 HG21 ' CE1' ' A' ' 29' ' ' PHE . 84.5 t -83.68 118.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -108.27 117.31 33.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.711 ' HB3' HG12 ' A' ' 92' ' ' VAL . 10.9 m-85 -76.88 120.55 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.464 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 25.2 p-90 -124.3 129.92 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -121.18 139.45 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.528 0.68 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.09 6.39 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.8 p-90 -117.5 5.78 12.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.56 113.63 38.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.2 18.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' ALA . 5.1 mp0 -72.84 -44.61 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -38.45 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -64.03 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.672 ' O ' HG23 ' A' ' 59' ' ' VAL . 4.7 mm-40 -46.45 -52.67 12.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 11.2 mmt -63.69 -46.32 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -43.71 -60.48 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.1 -52.49 63.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' GLN . 60.0 t -49.72 -44.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.5 mtp -59.0 -60.81 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.96 -54.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.68 -34.39 62.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.625 HD13 HG21 ' A' ' 119' ' ' VAL . 84.5 mt -74.69 -49.03 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -38.99 -54.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -53.8 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -43.36 -49.06 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD1' HG12 ' A' ' 119' ' ' VAL . 18.9 mt -110.98 92.74 15.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.5 Cg_endo -69.79 -15.49 37.0 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -93.37 18.39 9.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' SER . 95.2 t -125.2 155.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.666 ' HB3' HD12 ' A' ' 41' ' ' LEU . 2.2 t -122.95 117.98 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.5 m-85 -106.32 114.03 27.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 21' ' ' GLU . 16.1 m -123.07 130.74 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HG2' HG12 ' A' ' 20' ' ' VAL . 7.6 ptmt -109.32 133.93 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.551 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.5 tt -122.93 145.36 48.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.78 108.59 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.69 -55.84 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.64 -27.32 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.23 61.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -130.54 83.02 63.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.78 37.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.15 -50.82 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.4 -45.46 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 14.3 m -55.84 -41.02 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.5 -59.3 5.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -44.18 -59.01 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.63 -14.57 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 84' ' ' SER . 45.0 mt-10 64.7 37.04 7.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.95 HD12 HG21 ' A' ' 94' ' ' THR . 5.3 mm -69.84 94.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -114.29 43.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 p -166.56 124.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 45' ' ' PHE . 3.7 m -127.0 154.15 76.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.717 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.72 165.05 77.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.36 -0.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.95 HG21 HD12 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -131.88 156.09 46.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -141.04 110.19 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 84.5 mt -114.72 104.5 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -82.22 112.16 18.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -108.66 123.24 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -109.57 94.31 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.21 40.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.783 ' HA ' HD22 ' A' ' 33' ' ' LEU . 4.3 t 72.05 28.34 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -142.36 111.16 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -59.3 127.77 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 105' ' ' ASP . 47.3 pt -119.45 -37.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.504 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 14.6 t0 -137.21 170.27 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -162.16 145.03 11.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.771 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.2 tt -126.64 113.7 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 22.7 t0 -98.42 124.56 43.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.74 154.71 13.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.12 82.44 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 91.2 m-70 -108.35 118.02 35.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.753 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.58 -58.49 8.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.554 0.692 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.71 -49.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.1 tt0 -50.61 -42.26 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 119' ' ' VAL . 52.2 tp -55.87 -61.29 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 77.5 m -48.42 -47.37 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -49.29 -53.46 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.771 ' HD2' HD12 ' A' ' 107' ' ' LEU . 49.2 mttm -65.28 -45.55 84.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 63' ' ' LEU . 90.0 t -53.17 -59.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -57.99 -51.93 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -44.03 -59.11 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 57.8 m-70 -64.9 -53.21 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.8 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.792 0.329 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -74.4 150.65 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 105.31 15.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG11 ' HB2' ' A' ' 29' ' ' PHE . 94.6 t -91.81 118.67 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.7 27.56 5.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.4 p -165.58 147.68 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -30.27 71.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.23 -34.56 75.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' NE2' HG22 ' A' ' 23' ' ' VAL . 17.1 tt0 -69.62 -38.43 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -77.48 -52.63 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HA ' HD12 ' A' ' 33' ' ' LEU . 19.0 mt-10 -52.3 -39.86 61.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 10.1 pt-20 -73.84 -43.74 57.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.671 ' CD2' HG11 ' A' ' 73' ' ' VAL . 4.0 tp -63.25 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.598 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 10.5 mt -63.75 -27.97 69.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -81.08 -46.91 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -67.92 -53.64 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -85.93 35.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -81.98 -48.93 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 39' ' ' SER . 20.5 pttt -58.83 -32.36 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 50.2 m -92.37 165.36 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD13 ' HZ2' ' A' ' 99' ' ' LYS . 43.4 tp -78.41 107.07 10.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 tp -94.13 130.32 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.93 102.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 29' ' ' PHE . 98.5 t -83.45 105.42 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CG ' ' SD ' ' A' ' 60' ' ' MET . 12.9 t-80 -97.8 129.86 44.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.645 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 14.1 m-85 -87.35 128.1 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.502 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 17.8 p-90 -126.55 137.02 53.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -129.93 147.91 67.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.69 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.27 29.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 14.4 p-90 -88.28 -53.24 4.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -58.15 112.63 5.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -45.55 -51.73 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.9 m -43.99 -30.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.94 -51.12 62.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -65.08 -57.63 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 56' ' ' MET . 16.1 mmt -39.89 -35.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -56.94 -65.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.56 -37.25 57.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.06 -35.93 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.501 ' SD ' ' CG ' ' A' ' 44' ' ' HIS . 83.8 mtp -72.27 -50.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.82 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -52.16 -32.78 37.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.6 mt -75.49 -36.97 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.476 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -49.71 -57.92 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.4 -42.25 31.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 8.8 mt -115.63 90.13 25.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.71 -16.62 37.85 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.683 2.255 . . . . 0.0 112.315 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -93.23 19.03 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.0 t -130.49 138.81 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.9 m -104.46 115.67 30.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -103.22 112.96 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.671 HG11 ' CD2' ' A' ' 32' ' ' LEU . 23.1 m -123.6 131.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.502 ' HE3' ' CD1' ' A' ' 46' ' ' TRP . 10.5 ptmt -114.17 137.75 51.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.629 HD11 ' HB ' ' A' ' 80' ' ' VAL . 4.1 tt -125.16 146.75 49.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 79' ' ' GLY . 37.9 tt0 -88.25 104.13 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.645 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -43.87 -37.89 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -82.01 -23.94 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -78.93 -41.56 14.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.629 ' HB ' HD11 ' A' ' 75' ' ' LEU . 44.6 t -121.09 82.11 36.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -22.33 32.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.76 -54.79 43.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.96 -46.94 90.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . 37.7 m -52.62 -40.3 62.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.38 -59.34 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -43.31 -60.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -76.03 -13.17 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 39.9 mt-10 63.31 37.3 11.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.962 HD12 HG21 ' A' ' 94' ' ' THR . 12.2 mm -70.5 98.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 t -120.55 39.51 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -162.66 129.09 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 45' ' ' PHE . 2.7 m -129.58 154.56 80.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.77 165.06 77.65 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.732 -1.779 . . . . 0.0 112.328 0.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.962 HG21 HD12 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -133.41 153.78 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -140.96 110.05 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -113.4 104.95 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.07 103.16 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -97.07 119.51 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HZ2' HD13 ' A' ' 40' ' ' LEU . 11.6 tptt -120.08 98.59 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.549 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 4.0 t-20 72.18 47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 m 60.12 32.9 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.25 125.43 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -69.46 121.84 17.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 28.7 pt -116.82 -28.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.598 ' CG ' ' CE1' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -142.42 160.75 39.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -161.59 133.2 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.6 tt -117.77 110.49 17.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -95.62 125.59 40.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.46 150.08 12.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.09 87.3 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 96.7 m-70 -115.21 111.24 20.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -59.5 9.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.78 -49.76 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.342 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 4.4 tp10 -50.29 -35.0 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 119' ' ' VAL . 51.3 tp -64.77 -61.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.1 m -45.16 -54.49 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -41.99 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.629 ' HD2' HD12 ' A' ' 107' ' ' LEU . 33.6 mttp -55.6 -55.42 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 115' ' ' LEU . 65.3 t -45.8 -60.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -53.14 -56.45 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -42.78 -63.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.598 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 45.5 m-70 -57.28 -54.43 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.6 p . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -79.16 149.04 32.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.42 129.13 43.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 29' ' ' PHE . 86.6 t -104.66 103.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.01 36.72 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 p -174.3 139.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.69 92.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.84 74.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.78 -51.66 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 43' ' ' VAL . 24.2 t80 -62.26 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 33' ' ' LEU . 57.6 mt-10 -44.2 -36.44 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -75.27 -55.28 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.719 HD23 HD11 ' A' ' 41' ' ' LEU . 2.4 tp -52.04 -26.69 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 30' ' ' GLU . 13.5 mt -54.01 -43.33 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 10.8 ptt180 -79.8 -43.68 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.5 mt -56.15 -56.94 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB2' HD13 ' A' ' 41' ' ' LEU . 70.5 mmtt -92.92 40.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -42.66 59.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.92 -47.77 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -83.29 169.31 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 123' ' ' ALA . 57.8 tp -81.79 124.88 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.719 HD11 HD23 ' A' ' 32' ' ' LEU . 8.3 tp -99.28 141.15 32.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -131.26 103.17 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 29' ' ' PHE . 91.0 t -93.31 107.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.493 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 9.9 t-80 -100.28 125.21 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.753 ' HB3' HG12 ' A' ' 92' ' ' VAL . 14.1 m-85 -82.93 111.79 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -115.98 147.09 41.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.547 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -128.92 142.02 43.68 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.547 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 17.9 p-90 -119.1 -47.29 2.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 119.17 29.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.78 -30.42 22.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' NE2' ' HD2' ' A' ' 93' ' ' PRO . 23.4 mt-30 -46.12 -55.18 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -40.46 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -48.5 -69.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -61.94 -51.87 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' ASN . 18.1 mmt -44.78 -63.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' MET . 27.1 t30 -34.36 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.41 -55.77 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -46.11 -45.74 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.59 -63.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.97 -43.8 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.12 -40.32 97.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 60.3 mt -70.66 -42.94 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 72' ' ' PHE . . . -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -45.69 -40.58 9.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.62 94.62 42.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.25 37.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.12 16.14 11.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.98 137.51 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.594 ' HB3' HD12 ' A' ' 41' ' ' LEU . 18.0 t -101.08 116.15 32.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 90.2 m-85 -104.58 117.83 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 32' ' ' LEU . 34.6 m -127.08 139.45 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.8 113.77 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.5 tt -106.65 140.03 40.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -49.16 -45.81 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.65 -26.32 50.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.19 -40.42 55.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.0 t -128.57 82.14 69.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.35 37.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -57.34 -52.11 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.07 -45.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.8 m -49.11 -37.6 22.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.71 -58.71 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -41.17 -61.87 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 98.1 m-85 -80.03 -13.35 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 84' ' ' SER . 30.1 mt-10 63.44 45.88 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 45' ' ' PHE . 29.6 mm -81.29 92.07 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.8 p -110.25 38.93 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.2 p -158.5 141.78 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.753 HG12 ' HB3' ' A' ' 45' ' ' PHE . 29.5 m -145.07 151.25 48.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.5 Cg_endo -69.77 164.91 78.04 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.378 -0.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.469 HG21 HD12 ' A' ' 89' ' ' ILE . 85.5 m -160.9 115.72 2.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 53.5 m-85 -98.09 145.63 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.9 mt -134.15 108.78 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -79.0 125.91 30.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -123.2 123.23 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -122.24 100.31 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 74.85 39.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 t 66.99 34.1 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -147.31 126.03 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -68.42 119.81 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 22.9 pt -106.87 -29.71 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -145.93 173.08 12.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -157.84 142.91 16.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -130.03 117.64 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -103.26 140.1 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.27 156.93 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.71 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.23 106.89 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.087 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.6 m-70 -128.27 115.42 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.757 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.18 -58.64 5.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.552 0.692 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.757 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.79 -45.88 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 9.6 tt0 -54.06 -47.21 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.948 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.6 tp -57.55 -54.34 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.3 m -55.05 -51.32 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -47.08 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -57.69 -47.41 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 115' ' ' LEU . 85.8 t -50.36 -54.76 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.97 -49.38 77.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -52.42 -62.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 123' ' ' ALA . 64.5 m-70 -59.62 -46.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.453 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.807 0.337 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.61 127.46 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.97 103.84 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.521 HG13 ' HB3' ' A' ' 28' ' ' GLN . 61.4 t -53.27 116.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.24 -36.44 55.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 p -160.91 172.27 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.12 -46.56 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 -45.91 48.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.521 ' HB3' HG13 ' A' ' 23' ' ' VAL . 21.4 tt0 -59.51 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CE1' HG21 ' A' ' 43' ' ' VAL . 32.4 t80 -68.18 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 33' ' ' LEU . 8.3 mm-40 -42.74 -41.63 3.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.05 -53.78 34.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.781 HD23 HD11 ' A' ' 41' ' ' LEU . 4.5 tp -49.9 -44.75 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 101' ' ' SER . 15.7 mt -40.31 -43.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -73.28 -53.97 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 mt -53.99 -62.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -83.09 39.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.44 -47.02 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -58.86 -47.34 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -80.87 175.86 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 122' ' ' HIS . 26.2 tp -89.72 135.52 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 32' ' ' LEU . 6.9 tp -112.71 141.49 46.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.77 104.65 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 29' ' ' PHE . 93.8 t -94.57 98.43 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.3 t-160 -93.48 121.34 34.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.764 ' HB3' HG12 ' A' ' 92' ' ' VAL . 17.8 m-85 -80.44 110.62 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 35.8 p-90 -110.53 146.9 35.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.606 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -132.57 143.12 47.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.26 9.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.379 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.606 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 69.7 p-90 -109.94 -45.2 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . . . -60.87 111.32 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 50' ' ' ALA . 53.8 Cg_endo -69.73 -10.56 28.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.72 -50.1 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 11.8 t -38.98 -33.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.78 -70.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.64 ' O ' HG23 ' A' ' 59' ' ' VAL . 3.8 pt20 -70.78 -52.05 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.441 ' SD ' ' HB1' ' A' ' 110' ' ' ALA . 28.4 mmm -43.21 -26.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -74.21 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -28.19 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 55' ' ' GLN . 89.1 t -65.73 -38.51 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 mtm -73.46 -39.97 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.89 -52.34 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.89 -40.75 85.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.36 -37.81 83.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.67 -57.16 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -44.56 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -51.8 -43.88 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -116.28 94.45 42.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.95 37.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -90.41 17.91 6.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 71' ' ' SER . 53.2 t -125.95 156.81 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.611 ' HB2' HD12 ' A' ' 41' ' ' LEU . 20.2 m -125.17 103.39 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 79.0 m-85 -92.31 115.36 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.3 124.45 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -103.5 123.49 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.8 tt -115.85 136.09 53.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 79' ' ' GLY . 0.9 OUTLIER -84.85 107.81 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.16 -52.08 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.06 -25.13 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OE1' ' A' ' 76' ' ' GLU . . . -74.3 -61.41 3.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.1 t -107.92 81.41 1.21 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.181 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.12 19.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -44.66 -40.35 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.27 -51.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 88' ' ' GLU . 50.0 m -44.96 -39.93 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -58.6 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 9.1 tttp -38.86 -62.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 88.3 m-85 -79.71 -14.21 58.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' SER . 57.5 mt-10 64.32 47.23 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.628 HG21 ' CD2' ' A' ' 45' ' ' PHE . 26.4 mm -82.63 93.14 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.2 p -108.81 39.26 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -158.01 139.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 45' ' ' PHE . 32.7 m -145.15 151.03 47.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.8 Cg_endo -69.78 164.07 80.25 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.298 -0.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.564 HG21 HD12 ' A' ' 89' ' ' ILE . 16.0 m -161.09 113.45 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 24.9 m-85 -93.72 142.38 27.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.44 HD12 ' HE1' ' A' ' 45' ' ' PHE . 15.8 mt -129.64 110.32 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -81.26 115.85 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -117.83 111.7 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -115.77 107.43 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 72.39 41.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.416 ' HA ' HD22 ' A' ' 33' ' ' LEU . 16.4 p 58.87 29.88 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -145.01 110.51 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.431 ' HD2' HD22 ' A' ' 96' ' ' LEU . 16.3 ttpp -55.05 128.09 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 105' ' ' ASP . 40.0 pt -115.78 -34.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 104' ' ' ILE . 10.2 t70 -144.63 171.39 14.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 31.6 ttt180 -160.42 145.16 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.4 tt -125.79 118.25 25.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -102.97 137.18 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.11 140.06 9.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.692 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -66.14 97.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 70.8 m-70 -121.08 113.6 20.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.71 -58.2 8.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.68 -51.18 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.0 tp10 -49.58 -44.65 47.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 119' ' ' VAL . 64.5 tp -53.37 -58.44 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 96.7 m -49.38 -44.2 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -47.4 -61.8 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.534 ' HD2' HD12 ' A' ' 107' ' ' LEU . 33.9 mttp -61.41 -43.99 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.773 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 87.0 t -52.54 -43.84 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -66.34 -48.3 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -60.22 -59.11 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.497 ' C ' HD22 ' A' ' 40' ' ' LEU . 59.5 m-70 -63.43 -39.03 93.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 119' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.44 146.35 23.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -98.03 106.07 18.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.623 HG13 ' HB3' ' A' ' 28' ' ' GLN . 69.3 t -89.58 99.55 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.46 37.07 4.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.0 p -173.67 144.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -61.77 -38.92 89.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.77 -43.39 91.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.623 ' HB3' HG13 ' A' ' 23' ' ' VAL . 29.9 tt0 -59.54 -50.69 72.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.8 t80 -66.26 -63.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.643 ' HA ' HD12 ' A' ' 33' ' ' LEU . 36.2 mt-10 -46.2 -39.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -70.74 -55.73 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.443 HD23 HD11 ' A' ' 41' ' ' LEU . 5.1 tp -51.12 -35.52 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 30' ' ' GLU . 15.8 mt -46.45 -36.44 6.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 9.2 ptp180 -80.81 -43.17 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 58.5 mt -60.32 -57.1 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB2' HD13 ' A' ' 41' ' ' LEU . 54.3 mmtt -91.77 39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.73 -58.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -45.17 -46.38 12.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -83.92 173.83 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.5 tp -86.36 133.42 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 36' ' ' LYS . 10.9 tp -109.19 141.37 41.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t -128.17 105.81 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 29' ' ' PHE . 88.0 t -95.85 102.39 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -93.77 132.45 38.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.755 ' HB3' HG12 ' A' ' 92' ' ' VAL . 9.2 m-85 -92.29 122.26 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.533 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.4 p-90 -124.21 132.94 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.541 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -112.46 147.5 37.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 111.125 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.02 3.88 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.541 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 34.6 p-90 -119.79 -54.33 2.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -50.24 107.64 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.513 0.673 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.95 3.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -75.82 -54.31 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.5 p -42.71 -24.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.0 -70.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG3' ' SD ' ' A' ' 56' ' ' MET . 3.5 pt20 -67.28 -52.23 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 27.0 mmm -42.3 -40.26 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -62.73 -46.87 86.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.21 -43.09 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.11 -43.84 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.3 mtp -58.21 -55.65 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.46 -50.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -64.83 -37.02 86.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' MET . 43.2 mt -66.2 -43.13 87.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.44 -53.67 21.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -66.67 -45.28 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -53.21 -46.31 69.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 39.8 mt -112.73 94.12 27.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.7 -15.52 37.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -98.42 27.26 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 72.0 t -129.94 151.93 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.8 m -117.99 108.69 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.441 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 80.8 m-85 -100.33 125.41 46.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -137.25 128.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -108.8 126.92 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.545 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.9 tt -121.1 141.97 50.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 10.2 tt0 -85.61 113.5 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -48.19 -46.59 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.09 -27.73 61.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.13 -48.0 34.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.527 ' HB ' HD11 ' A' ' 75' ' ' LEU . 82.0 t -116.47 85.59 16.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -27.47 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.719 2.28 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 12.4 tt0 -53.38 -54.72 32.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.88 -46.62 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 m -53.42 -36.65 61.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.61 -56.27 13.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.43 ' HD3' ' CE2' ' A' ' 87' ' ' TYR . 20.5 tttm -45.57 -60.24 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 95.2 m-85 -77.73 -12.45 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 62.4 45.2 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 94' ' ' THR . 26.3 mm -79.27 87.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -104.68 39.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.7 p -161.54 142.0 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.755 HG12 ' HB3' ' A' ' 45' ' ' PHE . 31.3 m -145.14 151.36 48.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.843 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.8 Cg_endo -69.75 165.1 77.47 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.379 -0.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.754 HG21 HD12 ' A' ' 89' ' ' ILE . 13.4 m -159.66 119.0 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -100.11 145.18 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.1 mt -132.0 105.07 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 98.3 m-85 -79.0 126.18 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.13 130.4 53.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -123.47 103.98 8.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.0 41.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m 66.98 31.55 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -148.41 118.84 7.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.03 117.53 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.1 pt -104.71 -32.89 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 104' ' ' ILE . 6.8 t70 -141.79 172.7 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 17.7 ttt180 -162.27 143.1 10.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.887 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.5 tt -127.45 118.11 23.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.74 137.92 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.21 143.88 11.1 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -68.13 102.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 97.7 m-70 -125.47 113.67 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.52 -59.04 6.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.77 -46.71 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.8 tp10 -54.84 -42.55 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 21.0 tp -58.21 -59.39 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.4 m -44.26 -43.29 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -52.68 -59.88 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.887 ' HD2' HD12 ' A' ' 107' ' ' LEU . 35.8 mttp -59.97 -44.0 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.4 t -55.12 -62.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -60.28 -45.47 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -53.6 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 123' ' ' ALA . 72.4 m-70 -60.85 -45.76 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.444 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 ' HD3' ' A' ' 74' ' ' LYS . 98.2 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -87.25 127.71 35.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.22 115.2 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.81 HG13 ' HB3' ' A' ' 28' ' ' GLN . 87.3 t -101.84 90.36 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' C ' ' CG2' ' A' ' 80' ' ' VAL . . . -101.58 37.43 3.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.647 ' N ' HG21 ' A' ' 80' ' ' VAL . 42.0 p -173.52 139.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.42 -56.07 15.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.18 -45.86 8.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.81 ' HB3' HG13 ' A' ' 23' ' ' VAL . 31.8 tt0 -51.24 -54.78 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.586 ' HB2' HG11 ' A' ' 23' ' ' VAL . 40.0 t80 -66.02 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -44.37 -41.15 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.36 -55.0 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 41' ' ' LEU . 5.3 tp -53.09 -50.28 64.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.505 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.8 mt -34.35 -34.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LEU . 73.1 mtt180 -79.25 -60.16 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -50.62 -50.5 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HB2' HD13 ' A' ' 41' ' ' LEU . 31.9 mmtp -88.95 40.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.35 19.7 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -122.05 -49.44 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -88.24 163.5 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.8 tp -68.21 111.78 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.881 HD12 ' HB3' ' A' ' 71' ' ' SER . 8.2 tp -91.84 135.73 33.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -125.94 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 29' ' ' PHE . 87.8 t -97.92 109.9 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.449 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 8.4 t-80 -98.6 134.08 42.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' HE1' HD12 ' A' ' 96' ' ' LEU . 12.3 m-85 -93.06 115.52 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.9 p-90 -114.8 139.82 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -128.26 142.0 43.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.4 36.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.496 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 51.4 p-90 -91.7 -34.86 14.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -82.23 112.27 34.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -8.68 24.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' ALA . 72.7 mt-30 -69.21 -53.64 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -38.8 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -60.01 -69.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -52.11 -37.73 55.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.1 mmt -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -56.12 -57.52 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 4.0 pt-20 -55.17 -31.79 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 55' ' ' GLN . 79.3 t -68.38 -40.15 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.449 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 82.3 mtp -61.02 -58.94 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.05 -60.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.79 -40.34 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -35.45 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 -60.15 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -62.54 -48.65 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.9 -42.36 59.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 HE21 ' A' ' 120' ' ' GLN . 17.2 mt -114.35 90.72 21.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -21.69 33.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -89.52 21.12 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 71' ' ' SER . 69.8 t -130.45 154.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.881 ' HB3' HD12 ' A' ' 41' ' ' LEU . 10.4 t -120.15 116.83 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -102.58 114.4 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG2' HG22 ' A' ' 43' ' ' VAL . 28.7 m -128.53 123.6 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HD3' HG11 ' A' ' 20' ' ' VAL . 50.9 pttt -99.79 130.67 46.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 75' ' ' LEU . 8.8 tt -112.69 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 79' ' ' GLY . 58.1 tt0 -82.92 103.35 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.03 -39.14 59.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -96.74 22.05 8.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 76' ' ' GLU . . . -123.94 -36.0 0.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.647 HG21 ' N ' ' A' ' 25' ' ' SER . 60.8 t -129.04 77.76 77.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -6.9 19.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.18 -32.29 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.02 -39.45 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 72.1 m -56.75 -32.07 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 86' ' ' LYS . 16.6 pt-20 -68.48 -47.85 66.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 39.5 tttp -52.82 -57.53 9.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -81.83 -11.43 58.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 62.25 44.64 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.576 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 28.7 mm -81.19 85.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -107.46 38.97 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -156.6 138.48 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.543 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 17.0 m -145.28 150.45 44.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.78 160.71 87.63 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 m -161.19 118.12 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 115' ' ' LEU . 27.4 m-85 -97.2 152.1 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.599 HD12 ' HE1' ' A' ' 45' ' ' PHE . 25.5 mt -135.08 105.5 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -82.75 119.23 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -115.44 137.24 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -125.54 93.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 70.8 49.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.505 ' HA ' HD22 ' A' ' 33' ' ' LEU . 24.4 m 62.72 36.53 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -150.95 112.59 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -59.05 116.27 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.5 pt -105.73 -34.19 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.457 ' N ' HG13 ' A' ' 104' ' ' ILE . 21.5 t70 -141.69 171.77 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 18.6 ttt180 -163.11 148.83 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.5 tt -133.81 122.21 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.504 ' N ' HD23 ' A' ' 107' ' ' LEU . 7.8 p30 -109.11 135.52 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.55 166.01 26.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.58 88.38 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 82.0 m-70 -115.81 113.76 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.55 -57.9 6.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.73 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -48.64 -46.07 39.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.947 ' O ' HG23 ' A' ' 119' ' ' VAL . 35.2 tp -54.47 -55.0 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 -49.99 75.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -48.61 -54.19 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.531 ' HD2' HD12 ' A' ' 107' ' ' LEU . 34.9 mttm -61.71 -47.75 83.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 115' ' ' LEU . 59.2 t -52.16 -53.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.561 HE21 HD21 ' A' ' 67' ' ' LEU . 31.2 mt-30 -66.99 -39.55 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -49.31 -61.22 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 83.5 m-70 -67.62 -51.3 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.564 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 72' ' ' PHE . 7.5 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.784 0.326 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -95.7 156.75 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -108.21 140.26 41.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.88 117.58 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.6 21.7 10.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.7 p -163.39 138.78 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -59.71 -33.78 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.05 -40.09 96.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.41 -52.31 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.354 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.38 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 33' ' ' LEU . 43.8 mt-10 -50.22 -37.32 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -56.91 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 7.8 tp -50.97 -44.66 60.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 19.1 mt -35.21 -40.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -77.02 -41.71 41.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . 36.2 mt -63.98 -55.85 19.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -95.52 39.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -74.93 -46.89 32.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.9 p -80.31 174.76 11.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.499 HD13 ' HE2' ' A' ' 99' ' ' LYS . 57.6 tp -92.03 119.07 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 71' ' ' SER . 13.1 tp -98.45 147.95 24.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.97 107.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.81 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -95.5 128.8 42.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.737 ' HB3' HG12 ' A' ' 92' ' ' VAL . 17.7 m-85 -89.62 112.28 23.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -120.6 137.22 54.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -130.66 142.57 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.5 14.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.673 2.248 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.542 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 48.0 p-90 -107.94 6.95 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.12 123.17 26.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.449 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 54.3 Cg_endo -69.75 -36.36 10.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.95 -48.15 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.4 m -52.99 -16.07 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 51' ' ' PRO . . . -64.04 -64.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.2 pt20 -62.34 -41.37 98.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 mmt -51.59 -45.87 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -59.1 -45.28 91.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 29.2 mt-10 -65.17 -48.16 74.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' GLN . 69.5 t -48.9 -49.14 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 mtm -59.18 -41.43 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 58' ' ' GLU . . . -43.84 -50.06 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.29 -47.26 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.04 -43.14 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.68 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -72.48 -42.72 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.35 -42.24 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.04 95.8 43.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.611 0.719 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -43.85 2.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -26.48 59.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.4 t -85.02 125.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.1 m -99.3 101.27 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 20' ' ' VAL . 73.9 m-85 -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 73' ' ' VAL . 27.1 m -117.3 124.33 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -106.03 123.99 48.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 80' ' ' VAL . 2.8 tt -121.66 144.28 48.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.25 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.35 -51.83 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.13 -27.62 64.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.37 -44.84 57.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.631 ' HB ' HD11 ' A' ' 75' ' ' LEU . 45.2 t -127.42 83.91 64.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 111.173 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -23.98 30.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 11.3 tp10 -50.93 -54.21 26.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.77 -48.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.0 m -47.98 -40.0 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.93 -54.96 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -42.49 -62.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.26 -13.91 59.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' SER . 29.8 mt-10 65.95 43.8 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.604 HD11 HD11 ' A' ' 96' ' ' LEU . 31.3 mm -77.99 84.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -103.87 39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -160.08 140.63 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' A' ' 45' ' ' PHE . 23.1 m -144.99 151.61 49.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 111.061 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.3 Cg_endo -69.78 165.04 77.74 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.286 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 HD12 ' A' ' 89' ' ' ILE . 58.6 m -160.85 120.12 2.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.32 143.19 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.604 HD11 HD11 ' A' ' 89' ' ' ILE . 27.4 mt -133.48 111.09 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.12 127.03 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -124.44 118.08 25.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HE2' HD13 ' A' ' 40' ' ' LEU . 18.7 mmtt -118.22 119.34 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.488 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 28.0 t30 59.55 32.22 21.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 102' ' ' GLN . 9.9 t 69.32 45.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 101' ' ' SER . 17.2 mt-30 -161.07 112.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.491 ' HD2' HD22 ' A' ' 96' ' ' LEU . 37.3 ttpt -55.05 131.59 45.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 105' ' ' ASP . 9.2 pt -127.47 -28.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.468 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.8 t70 -137.95 165.06 27.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -160.15 139.8 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.0 tt -123.76 120.11 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.433 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.8 m-20 -111.22 129.57 55.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.433 ' O ' ' CD2' ' A' ' 111' ' ' HIS . . . 103.55 127.0 5.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.9 102.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 92.4 m-70 -130.02 113.75 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.65 -58.39 5.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.0 Cg_endo -69.81 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 6.3 tp10 -48.9 -46.39 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 119' ' ' VAL . 47.1 tp -53.4 -57.02 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.409 HG22 ' CD ' ' A' ' 120' ' ' GLN . 66.1 m -50.45 -57.03 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -42.06 -61.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.76 -53.44 55.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 115' ' ' LEU . 90.0 t -46.57 -52.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.409 ' CD ' HG22 ' A' ' 116' ' ' THR . 58.7 mt-30 -63.38 -52.54 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -41.21 -51.11 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.447 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 89.2 m-70 -74.87 -49.28 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.452 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.34 142.35 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -99.65 109.46 21.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 29' ' ' PHE . 87.1 t -97.7 108.94 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.68 34.79 5.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.491 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 84.3 p -171.34 146.77 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.94 95.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.587 ' HB3' HG13 ' A' ' 23' ' ' VAL . 14.7 tt0 -63.24 -51.54 65.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.3 t80 -58.34 -62.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -48.11 -38.72 18.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 41' ' ' LEU . 2.5 tp -45.43 -47.92 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD23 HD22 ' A' ' 41' ' ' LEU . 14.9 mt -42.15 -35.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -68.39 -56.39 8.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 35' ' ' LEU . 3.8 mm? -59.44 -51.14 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' HD13 ' A' ' 41' ' ' LEU . 48.4 mmtt -89.2 36.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.15 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -76.68 -27.19 55.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 m -91.51 148.21 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 123' ' ' ALA . 37.7 tp -67.66 117.01 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.651 HD11 HD23 ' A' ' 32' ' ' LEU . 7.6 tp -98.34 144.18 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.7 t -136.93 105.43 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.581 HG21 ' CE1' ' A' ' 29' ' ' PHE . 94.2 t -90.94 111.57 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -97.64 128.41 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CG ' HG21 ' A' ' 89' ' ' ILE . 24.5 m-85 -91.58 110.05 21.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -111.33 142.51 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -124.35 143.92 44.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.491 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 13.6 p-90 -110.66 -60.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 107.68 0.65 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -82.69 -49.16 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 p -47.93 -19.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.05 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.4 pt20 -58.74 -42.71 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.9 mmt -54.97 -29.31 56.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.87 -63.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -49.8 -39.45 38.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 55' ' ' GLN . 92.7 t -59.63 -40.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.3 mtp -59.02 -62.18 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.75 -51.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.1 -39.67 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' MET . 77.3 mt -69.72 -42.78 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -41.08 -61.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -65.64 -44.42 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.39 -36.11 41.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.412 ' CD1' HG12 ' A' ' 119' ' ' VAL . 16.6 mt -125.41 92.85 46.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.4 Cg_endo -69.8 -15.48 36.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -95.37 20.19 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 71' ' ' SER . 95.7 t -126.15 156.4 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.493 ' HB2' HD12 ' A' ' 41' ' ' LEU . 50.6 m -122.42 111.35 16.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -100.91 122.44 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.461 HG11 ' CD2' ' A' ' 32' ' ' LEU . 35.3 m -135.05 125.1 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.13 134.41 44.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.598 ' C ' HD23 ' A' ' 75' ' ' LEU . 6.2 tt -123.54 132.91 54.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLY . 31.9 tt0 -80.09 107.75 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.58 -42.5 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.68 -19.81 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -77.55 -55.39 4.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 25' ' ' SER . 69.6 t -114.01 82.04 6.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.02 28.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.6 -54.16 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.23 -45.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.0 m -44.89 -43.17 8.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.81 -59.93 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 7.2 tmtm? -39.07 -61.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 95.1 m-85 -79.59 -12.65 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 84' ' ' SER . 33.1 mt-10 63.9 41.52 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.79 HD12 HG21 ' A' ' 94' ' ' THR . 38.6 mm -81.77 85.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -109.39 39.47 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.57 151.31 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 30.9 m -145.79 151.51 46.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.76 165.16 77.36 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.33 -0.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.79 HG21 HD12 ' A' ' 89' ' ' ILE . 61.3 m -160.83 122.18 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.484 ' CD2' HD11 ' A' ' 115' ' ' LEU . 30.8 m-85 -109.88 149.97 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.43 HD11 HD11 ' A' ' 89' ' ' ILE . 28.0 mt -137.53 106.24 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -80.41 126.27 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -122.09 124.65 44.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -119.29 102.29 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.0 t30 72.93 32.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t 74.34 34.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -148.39 121.84 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -64.28 128.94 37.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 29.7 pt -124.65 -24.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -146.42 168.24 21.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 12.2 ttt180 -162.89 145.86 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.681 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.9 tt -130.54 113.21 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.78 117.64 34.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.437 ' C ' ' HG2' ' A' ' 93' ' ' PRO . . . 123.08 151.91 8.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.73 84.33 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.7 m-70 -116.19 113.56 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -66.81 -59.16 8.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.83 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 13.9 tp10 -46.67 -39.08 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 119' ' ' VAL . 31.2 tp -65.47 -57.27 8.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.9 m -47.99 -56.4 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -44.29 -57.26 3.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.681 ' HD2' HD12 ' A' ' 107' ' ' LEU . 50.2 mttm -56.78 -48.6 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 115' ' ' LEU . 64.1 t -53.7 -46.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -66.57 -51.54 55.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -47.01 -58.55 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 123' ' ' ALA . 79.1 m-70 -66.5 -44.38 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 119' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.855 0.359 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' HB2' HG12 ' A' ' 73' ' ' VAL . 4.7 mm-40 -96.7 135.11 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -94.34 126.73 39.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 28' ' ' GLN . 9.5 t -92.73 129.59 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.16 -21.11 18.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.4 p -166.41 164.01 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.11 -25.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.87 -51.89 56.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.903 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -60.67 -47.27 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.921 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 43' ' ' VAL . 37.5 t80 -66.34 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.55 -25.65 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -48.66 9.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.667 HD23 HD11 ' A' ' 41' ' ' LEU . 1.5 tp -61.37 -16.7 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.7 mt -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -80.89 -39.79 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.38 -52.38 65.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HB2' HD13 ' A' ' 41' ' ' LEU . 40.1 mmtt -96.11 26.45 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.46 69.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -78.36 158.83 28.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 123' ' ' ALA . 26.5 tp -79.1 115.55 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.667 HD11 HD23 ' A' ' 32' ' ' LEU . 9.3 tp -95.85 141.27 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -132.14 104.22 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 29' ' ' PHE . 24.7 t -85.98 128.06 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 3.6 t-80 -118.85 126.08 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' HB3' HG12 ' A' ' 92' ' ' VAL . 33.7 m-85 -89.72 116.68 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.413 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 35.3 p-90 -124.44 139.88 53.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.624 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -123.12 143.03 39.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -6.21 18.03 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.624 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 46.4 p-90 -105.87 -40.63 5.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.99 114.98 33.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -6.39 18.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.61 -61.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.7 p -38.15 -33.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -70.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' O ' ' NE2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -53.31 -31.6 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 47.0 mmm -72.29 -34.31 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -59.76 -46.89 87.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.12 -57.19 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.37 -47.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' LEU . 42.0 mtp -49.83 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -35.1 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.47 -45.62 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' MET . 33.5 mt -64.85 -44.87 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.03 -54.9 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -42.2 81.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LEU . 25.1 mt -132.61 88.97 37.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.552 0.692 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.39 7.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.419 ' H ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -67.08 -5.85 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 83.9 t -104.64 145.48 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -114.62 106.53 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 60.8 m-85 -94.37 131.78 39.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 32' ' ' LEU . 23.9 m -141.38 131.86 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 153.64 20.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 tt -143.08 130.77 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.69 108.02 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.64 -40.32 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.95 -18.9 52.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.3 -60.58 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.45 81.85 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.135 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -25.48 28.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -51.29 -42.68 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 68.9 t -78.79 -54.93 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.7 m -44.96 -43.41 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.8 mt-10 -55.85 -59.69 4.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -36.87 -63.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 59.6 m-85 -78.48 -10.17 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLU . 21.8 mt-10 62.28 42.9 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 96' ' ' LEU . 4.9 mm -77.47 84.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -102.83 40.28 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 m -157.76 136.89 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 45' ' ' PHE . 6.0 m -144.95 153.36 53.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.819 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.6 Cg_endo -69.75 160.53 87.85 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.354 -0.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -159.85 133.46 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -110.94 155.46 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 89' ' ' ILE . 30.6 mt -146.57 107.45 4.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -81.11 123.5 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 72.3 m-85 -116.06 111.68 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' HD13 ' A' ' 104' ' ' ILE . 1.9 tptm -107.0 110.94 23.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.08 40.56 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.3 m 63.38 36.31 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -150.09 114.35 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -56.82 124.49 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 99' ' ' LYS . 49.3 pt -117.82 -29.87 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.436 ' OD2' ' NE2' ' A' ' 122' ' ' HIS . 13.1 t0 -149.44 155.87 41.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.26 141.9 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.556 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.3 tt -115.44 127.59 55.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.414 ' N ' HD23 ' A' ' 107' ' ' LEU . 41.9 t0 -108.8 134.65 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.23 143.09 9.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.819 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -66.31 107.72 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.457 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 94.8 m-70 -134.06 119.87 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.31 -60.02 5.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.697 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.0 tt0 -46.63 -36.17 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 119' ' ' VAL . 44.1 tp -67.89 -58.33 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.2 m -48.27 -46.06 35.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -53.1 -58.84 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 50.4 mttm -57.12 -37.8 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 115' ' ' LEU . 58.0 t -63.01 -50.49 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.62 -49.14 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -47.77 -57.28 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.5 m-70 -69.49 -47.98 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.43 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.826 0.346 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -87.64 150.04 23.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -105.22 113.0 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.758 HG11 ' HB2' ' A' ' 29' ' ' PHE . 61.7 t -99.66 111.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.51 36.52 3.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.1 p -174.19 141.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.86 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.84 -45.33 61.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -58.53 -53.62 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.758 ' HB2' HG11 ' A' ' 23' ' ' VAL . 43.8 t80 -62.2 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.755 ' HA ' HD12 ' A' ' 33' ' ' LEU . 11.4 mm-40 -50.29 -36.96 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 32' ' ' LEU . 4.1 tm-20 -67.94 -50.47 55.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 6.7 tp -56.95 -45.0 83.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 30' ' ' GLU . 7.4 mt -36.32 -44.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -61.62 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.51 -50.9 51.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' CB ' HD13 ' A' ' 41' ' ' LEU . 54.8 mmtt -90.1 40.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.77 -49.48 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -62.72 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 170.6 14.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 123' ' ' ALA . 24.9 tp -89.59 114.85 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 36' ' ' LYS . 12.5 tp -92.03 144.83 25.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.72 107.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 29' ' ' PHE . 91.2 t -91.32 137.09 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.98 126.37 46.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HB3' HG12 ' A' ' 92' ' ' VAL . 21.0 m-85 -90.42 111.85 23.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 76' ' ' GLU . 34.2 p-90 -114.74 134.66 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -114.74 141.62 27.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.555 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 18.1 p-90 -120.17 -43.99 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 111.43 6.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -0.8 7.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -80.28 -44.06 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 29.3 p -52.63 -19.68 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -69.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -52.64 -38.57 60.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 4.7 mmt -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 53' ' ' CYS . 18.6 m-20 -54.32 -42.48 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.57 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.1 -46.91 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 63' ' ' LEU . 78.8 mtp -49.14 -60.75 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.48 -49.97 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -56.84 -32.11 65.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 59.8 mt -79.7 -42.69 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.75 -63.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -62.68 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -52.25 -38.32 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD11 ' NE2' ' A' ' 120' ' ' GLN . 16.5 mt -126.45 91.46 47.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -15.14 36.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -90.08 17.56 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 71' ' ' SER . 90.4 t -128.99 156.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 70' ' ' VAL . 2.1 m -122.0 109.18 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -95.99 112.69 24.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 m -122.51 127.42 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -106.07 135.19 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.2 tt -129.32 136.06 49.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 28.5 tt0 -83.7 114.28 21.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.21 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -69.4 -20.01 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.08 -45.24 10.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 75' ' ' LEU . 52.8 t -120.02 82.59 29.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -27.04 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.69 -51.02 68.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.4 t -71.95 -53.22 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.9 m -45.9 -39.48 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -62.17 -56.62 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -45.15 -58.99 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -78.11 -13.15 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' SER . 46.0 mt-10 62.38 41.58 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.9 mm -77.82 83.69 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.2 t -103.99 39.28 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -158.24 139.09 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.656 HG12 ' HB3' ' A' ' 45' ' ' PHE . 30.9 m -144.92 151.36 48.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.74 161.42 86.17 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.362 -0.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.427 HG21 HD12 ' A' ' 89' ' ' ILE . 16.8 m -160.94 117.6 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.33 151.08 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.562 HD12 ' HE1' ' A' ' 45' ' ' PHE . 18.6 mt -137.84 107.04 6.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.556 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 58.7 m-85 -78.99 124.97 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 93.0 m-85 -122.89 118.99 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 104' ' ' ILE . 5.9 mmtp -116.28 116.57 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 56.93 41.98 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.424 ' HA ' HD22 ' A' ' 33' ' ' LEU . 49.5 m 63.74 37.99 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' C ' ' A' ' 101' ' ' SER . 73.8 mt-30 -152.27 107.5 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -56.59 121.43 9.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 20.2 pt -113.6 -26.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.556 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 30.9 t70 -140.4 168.01 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -163.06 139.06 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.717 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.0 tt -126.7 127.02 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.467 ' N ' HD23 ' A' ' 107' ' ' LEU . 2.6 p30 -115.9 135.42 54.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.3 141.96 12.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.434 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -62.33 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 98.3 m-70 -122.52 111.26 16.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.7 -59.09 4.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.699 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.74 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -48.72 -45.06 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 119' ' ' VAL . 44.4 tp -54.92 -57.99 9.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 117' ' ' LYS . 42.3 m -46.38 -63.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 116' ' ' THR . 41.6 mttp -35.99 -62.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.717 ' HD2' HD12 ' A' ' 107' ' ' LEU . 40.1 mttm -55.25 -51.95 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.5 t -49.31 -64.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.402 ' NE2' HD11 ' A' ' 67' ' ' LEU . 29.9 mm-40 -55.37 -51.98 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -46.06 -54.04 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 62.6 m-70 -71.55 -24.46 61.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB2' HD23 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 72' ' ' PHE . 44.9 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.794 0.33 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' HG12 ' A' ' 73' ' ' VAL . 51.5 mt-10 -77.99 140.29 39.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.74 119.91 38.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 75' ' ' LEU . 43.1 t -76.28 119.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.25 -32.71 16.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -160.53 170.85 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -50.15 -58.83 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.19 -46.76 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.549 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -59.49 -46.81 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 43' ' ' VAL . 34.2 t80 -70.61 -60.79 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' HA ' HD12 ' A' ' 33' ' ' LEU . 74.6 mt-10 -47.18 -40.18 15.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -66.63 -54.99 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LEU . 2.0 tp -52.85 -47.13 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 30' ' ' GLU . 10.3 mt -34.45 -42.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 5.7 mpt_? -74.16 -56.73 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mt -47.72 -56.94 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' HD13 ' A' ' 41' ' ' LEU . 70.9 mmtt -89.59 40.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.75 -45.71 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -60.56 -22.94 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -110.5 159.82 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.6 HD22 ' C ' ' A' ' 122' ' ' HIS . 18.7 tp -70.81 131.29 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.703 HD12 ' HB2' ' A' ' 71' ' ' SER . 12.3 tp -107.09 152.49 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.9 t -140.82 107.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.635 HG21 ' CE1' ' A' ' 29' ' ' PHE . 69.8 t -97.97 98.3 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 4.4 t-160 -90.55 113.89 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.773 ' HB3' HG12 ' A' ' 92' ' ' VAL . 11.8 m-85 -72.42 103.46 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 31.9 p-90 -98.58 133.48 42.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -115.2 146.19 35.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.54 20.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -89.62 -46.95 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -55.63 108.66 1.25 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.75 35.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.32 -42.26 69.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -46.69 -22.9 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.54 -67.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.24 -43.86 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.404 ' HE1' ' HA ' ' A' ' 112' ' ' ALA . 36.1 mmt -56.16 -17.23 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -82.52 -52.57 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.416 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -66.9 -35.08 79.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' GLN . 50.2 t -58.75 -39.32 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 mtm -70.76 -45.35 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.27 -55.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HA ' ' HZ2' ' A' ' 65' ' ' LYS . 17.3 mm-40 -53.23 -38.51 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 116' ' ' THR . 56.5 mt -74.27 -34.3 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -58.23 -52.28 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HZ2' ' HA ' ' A' ' 62' ' ' GLU . 6.0 pttm -71.02 -36.2 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.66 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -116.42 94.04 41.67 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.84 37.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.5 pm0 -88.79 13.02 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 71' ' ' SER . 68.4 t -122.97 156.42 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.703 ' HB2' HD12 ' A' ' 41' ' ' LEU . 27.7 m -123.95 111.17 15.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 93.7 m-85 -100.67 111.96 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.654 HG12 ' HB2' ' A' ' 21' ' ' GLU . 17.6 m -123.03 122.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.89 124.24 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.482 HD12 HG11 ' A' ' 23' ' ' VAL . 1.3 tt -117.08 142.95 46.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 20.9 tt0 -85.68 116.4 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -58.38 -33.25 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -91.92 -21.83 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.89 5.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.71 81.16 5.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -28.26 25.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -46.72 -44.95 19.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.2 t -80.73 -48.34 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 88' ' ' GLU . 25.0 m -47.11 -41.27 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.6 -57.29 11.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -43.82 -58.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.18 -13.52 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' SER . 28.5 mt-10 63.28 47.71 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 23.3 mm -84.52 89.31 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -105.11 39.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -160.54 136.87 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.774 HG21 ' HB2' ' A' ' 47' ' ' ALA . 31.0 m -143.86 151.25 52.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.735 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.79 164.61 78.85 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.362 -0.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 HD12 ' A' ' 89' ' ' ILE . 21.2 m -160.58 115.77 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 31.7 m-85 -95.03 139.46 31.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 35.2 mt -126.02 112.98 16.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.517 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 63.6 m-85 -84.17 117.68 23.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 96' ' ' LEU . 64.5 m-85 -121.22 112.48 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.527 ' HE3' HD13 ' A' ' 40' ' ' LEU . 18.0 mttt -114.75 111.29 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 71.56 39.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 p 61.56 36.11 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -150.46 116.9 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -59.67 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 105' ' ' ASP . 25.3 pt -118.14 -28.39 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.517 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 25.7 t70 -142.82 167.98 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -162.0 134.83 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.521 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.4 tt -118.73 114.74 23.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.79 128.45 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.74 135.66 9.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.07 109.14 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.6 m-70 -135.85 117.0 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.78 -60.11 4.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 5.5 tp10 -49.78 -37.21 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 119' ' ' VAL . 32.1 tp -66.24 -61.77 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.644 HG23 HD21 ' A' ' 63' ' ' LEU . 46.7 m -43.99 -57.47 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -43.66 -62.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.521 ' HD2' HD12 ' A' ' 107' ' ' LEU . 40.3 mttm -53.5 -42.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 115' ' ' LEU . 84.3 t -58.49 -61.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -52.16 -52.49 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -52.85 -62.6 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.6 ' C ' HD22 ' A' ' 40' ' ' LEU . 72.4 m-70 -64.12 -13.4 47.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.462 HG11 ' HD2' ' A' ' 74' ' ' LYS . 80.5 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.768 0.318 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.43 142.58 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.49 104.97 17.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 29' ' ' PHE . 66.3 t -94.08 107.5 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.63 39.24 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 p -172.96 136.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.77 -37.25 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -59.01 -47.94 88.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.611 ' HB3' HG13 ' A' ' 23' ' ' VAL . 60.7 tt0 -57.18 -49.25 76.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.7 t80 -66.77 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -49.29 -37.77 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 26.9 tt0 -66.82 -51.95 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD23 HD11 ' A' ' 41' ' ' LEU . 10.6 tp -53.97 -43.0 69.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.6 mt -38.28 -35.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 12.3 mtp-105 -77.39 -54.21 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.65 -54.65 41.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -87.62 40.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.03 -46.33 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -45.57 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.1 p -81.24 174.12 11.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.02 127.99 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD11 HD23 ' A' ' 32' ' ' LEU . 11.0 tp -102.52 143.19 32.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.57 103.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.1 t -92.72 117.6 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.437 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 7.6 t-80 -106.85 120.96 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' HG21 ' A' ' 89' ' ' ILE . 14.0 m-85 -79.5 120.14 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 21.0 p-90 -123.39 120.63 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' HG21 ' A' ' 92' ' ' VAL . . . -112.21 145.54 33.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.15 20.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.793 ' CH2' HG22 ' A' ' 92' ' ' VAL . 43.5 p-90 -112.54 13.24 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -122.69 108.69 32.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -26.8 27.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.14 -34.67 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.1 m -51.23 -20.58 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -67.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -37.68 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.9 mmt -66.3 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -63.17 -48.43 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.06 -57.74 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.3 t -47.85 -42.16 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.437 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 79.0 mtp -56.63 -64.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.2 -61.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -51.23 -46.04 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.9 mt -59.31 -50.14 75.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.89 -57.46 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -67.27 -40.24 86.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.83 -36.27 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.86 90.74 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -15.73 36.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -88.35 9.22 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -123.45 150.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m -115.59 109.34 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -95.89 123.49 39.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.88 134.57 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.462 ' HD2' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -112.62 133.69 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.619 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.2 tt -128.06 144.29 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.571 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 38.4 tt0 -87.88 108.49 19.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.525 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -43.01 -52.28 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -68.87 -25.67 64.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.76 -40.6 44.91 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' HB ' HD11 ' A' ' 75' ' ' LEU . 60.9 t -124.63 81.25 60.71 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.561 0.696 . . . . 0.0 111.071 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.14 37.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.376 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.54 -44.42 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.4 t -79.1 -48.08 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' GLU . 75.3 m -50.1 -40.47 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -61.87 -53.14 59.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.532 ' HD2' ' CE1' ' A' ' 87' ' ' TYR . 10.7 ttmm -45.24 -60.88 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' A' ' 86' ' ' LYS . 84.1 m-85 -80.95 -11.71 59.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 84' ' ' SER . 84.7 mt-10 62.43 48.8 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 96' ' ' LEU . 22.1 mm -81.92 88.4 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.5 m -106.73 39.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.5 p -158.06 134.58 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.793 HG22 ' CH2' ' A' ' 49' ' ' TRP . 20.0 m -140.92 150.56 59.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.75 165.17 77.32 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.334 -0.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.57 HG21 HD12 ' A' ' 89' ' ' ILE . 18.5 m -160.46 130.78 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -109.15 147.87 31.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 89' ' ' ILE . 29.4 mt -141.1 107.78 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.96 123.48 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.25 117.05 28.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -110.38 124.81 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 50.81 31.71 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.579 ' HA ' HD22 ' A' ' 33' ' ' LEU . 6.3 t 74.93 30.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -144.78 115.3 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -59.09 127.12 30.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.9 pt -118.95 -22.8 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 13.1 t0 -155.4 163.51 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -157.26 138.12 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.1 tt -107.52 136.75 46.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.577 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -121.64 118.79 30.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.22 131.92 7.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.81 101.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 89.5 m-70 -128.55 118.86 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.7 -59.5 5.58 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.77 -47.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.742 2.294 . . . . 0.0 112.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.491 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 10.7 tp10 -52.21 -44.4 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.783 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.2 tp -55.85 -54.53 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.7 m -56.14 -40.95 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -52.12 -60.52 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.682 ' HD2' HD12 ' A' ' 107' ' ' LEU . 36.5 mttm -59.41 -39.13 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.7 t -57.8 -50.69 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.41 -51.26 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -51.53 -48.6 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.0 m-70 -71.09 -41.59 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -90.87 148.26 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -97.19 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.736 HG22 ' OE1' ' A' ' 28' ' ' GLN . 10.7 t -98.54 120.1 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.5 13.24 9.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.4 p -150.37 148.57 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.27 71.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -63.02 -44.27 97.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.736 ' OE1' HG22 ' A' ' 23' ' ' VAL . 5.8 tt0 -63.6 -44.93 92.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CE1' HG21 ' A' ' 43' ' ' VAL . 7.9 t80 -61.22 -62.86 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.88 -32.63 66.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -71.18 -26.48 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 ' CD2' HG11 ' A' ' 73' ' ' VAL . 7.0 tp -83.51 -32.9 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 33' ' ' LEU . 11.3 mt -47.3 -30.05 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 1.8 ptp180 -86.54 -38.08 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.01 -53.89 38.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 41' ' ' LEU . 27.1 mmtp -89.33 30.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -1.47 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -100.09 -30.95 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -105.73 174.57 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 123' ' ' ALA . 32.2 tp -82.22 109.56 16.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 36' ' ' LYS . 12.1 tp -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.08 102.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.6 t -85.65 110.27 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 95' ' ' PHE . 17.6 t-80 -101.19 116.43 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.965 ' CE2' HG21 ' A' ' 89' ' ' ILE . 3.1 m-85 -74.4 113.76 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -116.31 129.52 56.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.787 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -115.48 144.27 32.09 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.562 0.696 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.33 5.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.787 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 9.1 p-90 -112.6 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . . . -45.76 104.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 50' ' ' ALA . 53.6 Cg_endo -69.77 1.42 4.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.623 HE21 ' HB3' ' A' ' 110' ' ' ALA . 6.0 tt0 -82.21 -50.06 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 17.5 p -40.82 -36.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -35.79 -70.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.4 pt20 -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.607 ' SD ' ' HB1' ' A' ' 110' ' ' ALA . 15.0 mmm -64.67 -27.02 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -70.06 -52.85 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' GLN . 28.0 t -63.23 -42.8 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LEU . 76.3 mtp -62.62 -60.8 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.55 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.58 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' MET . 29.8 mt -75.04 -40.82 60.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.55 36.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -62.17 -46.39 89.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -58.17 -39.24 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.45 HD11 ' NE2' ' A' ' 120' ' ' GLN . 41.2 mt -118.36 87.27 29.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -23.85 30.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.318 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -73.72 -20.12 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 71' ' ' SER . 40.8 t -94.77 153.61 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.414 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.2 m -116.98 116.56 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.68 124.0 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' A' ' 32' ' ' LEU . 2.3 m -130.28 127.38 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -104.01 132.72 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.2 tt -127.12 133.69 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -82.14 110.33 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.01 -55.89 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' N ' ' OE2' ' A' ' 76' ' ' GLU . 20.5 mt-10 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.16 -39.72 18.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.83 81.05 69.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 111.115 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.39 16.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.97 -48.65 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.445 HG13 ' CE1' ' A' ' 87' ' ' TYR . 67.1 t -74.48 -47.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.7 m -48.99 -35.33 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.29 -52.27 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.89 -35.52 75.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.445 ' CE1' HG13 ' A' ' 83' ' ' VAL . 2.2 m-85 -95.47 -13.65 24.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 mt-10 62.68 30.16 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.965 HG21 ' CE2' ' A' ' 45' ' ' PHE . 3.0 mm -68.93 85.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -105.26 41.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 p -163.41 135.69 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' CB ' ' A' ' 45' ' ' PHE . 3.0 m -145.15 154.09 53.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.916 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 54.2 Cg_endo -69.72 162.15 84.62 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.368 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -154.55 124.59 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' A' ' 44' ' ' HIS . 31.1 m-85 -101.46 133.73 45.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.733 HD11 HD11 ' A' ' 89' ' ' ILE . 31.5 mt -120.08 110.73 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -81.39 125.25 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -123.63 111.99 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -108.14 110.21 21.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 67.95 39.16 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p 64.49 37.5 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -151.64 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.46 124.45 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.8 pt -119.55 -20.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -147.9 170.6 17.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -162.69 127.27 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -112.68 108.29 17.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -90.07 129.81 36.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.22 159.66 30.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.916 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -84.99 94.53 8.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 94.5 m-70 -114.75 112.76 23.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -65.35 -59.42 9.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.5 OUTLIER -50.56 -45.28 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 119' ' ' VAL . 58.1 tp -52.36 -56.85 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.3 m -51.59 -42.45 61.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -50.94 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.419 ' HD2' HD12 ' A' ' 107' ' ' LEU . 43.9 mttp -58.27 -48.89 79.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 115' ' ' LEU . 72.6 t -48.29 -58.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' A' ' 67' ' ' LEU . 35.7 mm-40 -62.16 -50.94 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -42.74 -61.08 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -67.38 -49.56 63.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.533 ' N ' HD22 ' A' ' 40' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.766 0.317 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.1 145.83 39.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.3 pm0 -100.96 122.66 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -86.7 117.34 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.07 -31.82 27.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.0 p -158.82 169.92 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -54.2 -51.95 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -35.91 -54.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.94 -58.25 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 30.4 t80 -47.18 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.05 -39.04 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.54 -43.1 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.769 HD23 HD11 ' A' ' 41' ' ' LEU . 2.5 tp -65.8 -35.94 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 13.1 mt -50.14 -38.23 38.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -74.39 -60.93 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.12 -56.21 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -86.65 41.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.18 -47.85 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -63.24 -41.69 99.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -81.78 157.64 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 tp -78.54 118.32 20.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.769 HD11 HD23 ' A' ' 32' ' ' LEU . 4.6 tp -97.9 137.33 36.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -123.11 103.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HA ' HG23 ' A' ' 73' ' ' VAL . 54.2 t -89.58 98.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -90.94 144.57 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 89' ' ' ILE . 18.0 m-85 -106.89 111.2 23.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -109.99 148.98 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -137.27 144.14 44.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.75 33.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.676 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 24.8 p-90 -91.26 -57.83 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -60.43 116.21 16.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.92 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 110' ' ' ALA . 8.0 mp0 -38.77 -48.0 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.8 -50.71 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -39.98 -52.97 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 8.6 mmt -52.67 -53.22 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -39.78 -53.24 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.26 -41.21 98.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG1' HD23 ' A' ' 115' ' ' LEU . 70.0 t -56.05 -53.02 43.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG2' HD21 ' A' ' 115' ' ' LEU . 8.6 mtm -61.1 -47.74 84.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.62 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.25 -56.28 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.641 HD21 ' OG1' ' A' ' 116' ' ' THR . 36.3 mt -42.78 -50.72 5.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.35 -42.96 43.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -66.15 -39.37 89.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -68.19 -43.53 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD11 ' HG2' ' A' ' 120' ' ' GLN . 5.7 mt -116.7 94.21 43.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.75 -28.35 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -65.71 -27.83 68.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.34 150.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.628 ' HB2' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.33 106.75 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 57.3 m-85 -96.03 128.56 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.536 HG23 ' HA ' ' A' ' 43' ' ' VAL . 31.5 m -138.77 121.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -102.15 131.95 48.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 80' ' ' VAL . 2.5 tt -125.2 140.28 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.99 109.93 19.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.15 -40.81 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -83.48 -28.03 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.03 -54.2 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.691 ' HB ' HD11 ' A' ' 75' ' ' LEU . 41.2 t -110.49 82.55 2.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.38 20.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 23.5 tp10 -46.34 -52.46 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.3 -51.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.9 m -43.97 -35.64 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -70.36 -54.71 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.548 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 32.1 ttmt -42.34 -62.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.548 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 86.4 m-85 -78.98 -14.16 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 66.88 45.37 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.722 HD11 HD11 ' A' ' 96' ' ' LEU . 40.6 mm -78.16 89.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.9 t -111.97 40.74 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.3 p -161.69 143.54 11.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 34.9 m -145.19 150.56 45.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.7 161.18 86.54 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.411 -0.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.1 m -161.13 118.94 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.6 ' CZ ' HD13 ' A' ' 115' ' ' LEU . 44.8 m-85 -102.06 154.07 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.722 HD11 HD11 ' A' ' 89' ' ' ILE . 35.1 mt -141.11 105.52 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 53.6 m-85 -79.18 124.53 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 38.8 m-85 -119.84 111.2 17.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.11 107.88 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 70.36 40.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m 64.26 33.39 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -149.31 128.32 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -68.24 134.09 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 105' ' ' ASP . 35.4 pt -124.77 -33.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.476 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 31.0 t70 -135.6 169.87 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -162.42 122.44 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 108' ' ' ASP . 1.5 tt -108.95 122.39 47.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.532 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.5 t70 -117.56 132.17 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.15 129.67 6.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . . . -51.85 103.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 74.4 m-70 -133.99 114.81 13.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.83 -58.23 5.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.3 Cg_endo -69.73 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 11.9 tp10 -48.26 -43.44 32.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.731 ' O ' HG23 ' A' ' 119' ' ' VAL . 30.8 tp -55.86 -62.1 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.641 ' OG1' HD21 ' A' ' 63' ' ' LEU . 97.3 m -50.82 -52.51 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -46.43 -60.98 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 29.2 mttm -55.99 -49.35 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 115' ' ' LEU . 89.6 t -50.34 -64.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.527 ' HG2' HD11 ' A' ' 67' ' ' LEU . 78.1 mt-30 -50.37 -57.05 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -43.32 -62.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 71.5 m-70 -60.96 -23.3 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.93 144.81 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -96.25 109.73 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 29' ' ' PHE . 90.5 t -88.52 102.53 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.44 31.75 8.16 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -170.87 138.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 83' ' ' VAL . . . -58.08 -40.62 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.1 -46.62 84.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.18 -50.0 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' HG21 ' A' ' 43' ' ' VAL . 31.1 t80 -59.81 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 33' ' ' LEU . 24.8 mt-10 -48.29 -38.87 19.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -67.58 -37.59 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 41' ' ' LEU . 4.8 tp -70.7 -36.78 73.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 30' ' ' GLU . 12.5 mt -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 35' ' ' LEU . 7.7 ptt180 -76.32 -37.26 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 34.7 mt -61.61 -54.26 45.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.809 ' HB2' HD13 ' A' ' 41' ' ' LEU . 64.9 mmtt -98.89 39.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -75.14 -59.51 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.44 -40.5 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.9 m -87.14 179.33 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.616 HD13 ' HE3' ' A' ' 99' ' ' LYS . 25.9 tp -92.73 116.08 28.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.809 HD13 ' HB2' ' A' ' 36' ' ' LYS . 10.3 tp -94.89 150.53 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -136.64 114.1 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.639 HG21 ' CE1' ' A' ' 29' ' ' PHE . 98.5 t -103.69 102.16 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 1.9 t-160 -94.83 122.58 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.59 ' HB3' HG12 ' A' ' 92' ' ' VAL . 13.3 m-85 -79.34 107.24 11.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 14.2 p-90 -106.85 134.43 50.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 144.95 55.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -20.39 34.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -101.37 21.2 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.44 111.07 15.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -46.9 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -48.06 -30.87 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 53.9 m -65.26 -46.63 79.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.69 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -56.71 -38.33 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.6 mmt -60.13 -20.67 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -82.95 -60.53 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.15 -30.26 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 55' ' ' GLN . 53.7 t -64.62 -45.42 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.1 mtm -60.64 -43.45 97.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.35 -50.59 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.82 -56.68 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.24 -48.75 6.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.65 -42.48 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.59 -42.32 87.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.64 -41.75 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.477 HD11 ' OE1' ' A' ' 120' ' ' GLN . 13.7 mt -116.97 97.64 50.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.715 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.76 -38.71 7.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -57.03 -33.69 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.48 152.95 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.781 ' HB3' HD12 ' A' ' 41' ' ' LEU . 1.9 t -124.99 113.61 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.39 132.87 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.74 127.38 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -106.08 127.35 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.539 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.7 tt -117.17 132.7 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 26.8 tt0 -76.23 104.45 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.558 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -42.95 -49.65 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.43 -26.67 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.92 33.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 83' ' ' VAL . 80.9 t -113.5 82.85 6.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -19.68 36.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.38 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -63.85 -48.18 77.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 26' ' ' ALA . 86.5 t -73.95 -60.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' GLU . 13.6 m -37.37 -43.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.41 -46.35 80.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 87' ' ' TYR . 21.2 ttpt -48.92 -44.39 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 86' ' ' LYS . 8.0 m-85 -96.77 -10.75 26.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' SER . 41.7 mt-10 63.31 46.14 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.66 HD12 HG21 ' A' ' 94' ' ' THR . 23.6 mm -84.31 84.28 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -101.13 39.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -159.23 141.43 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.59 HG12 ' HB3' ' A' ' 45' ' ' PHE . 27.1 m -145.11 151.36 48.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.581 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 53.9 Cg_endo -69.78 165.23 77.23 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 -1.822 . . . . 0.0 112.349 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.66 HG21 HD12 ' A' ' 89' ' ' ILE . 29.6 m -160.71 113.66 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 26.6 m-85 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.531 HD12 ' HE1' ' A' ' 45' ' ' PHE . 19.9 mt -128.8 106.08 8.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.26 120.79 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 72.8 m-85 -121.59 117.24 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.616 ' HE3' HD13 ' A' ' 40' ' ' LEU . 9.4 mmtp -112.46 126.68 55.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.542 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 2.8 m120 52.24 38.25 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.47 ' HA ' HD22 ' A' ' 33' ' ' LEU . 23.3 t 67.25 35.78 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -152.64 118.49 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.21 135.09 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 105' ' ' ASP . 7.4 pt -123.34 -25.96 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 104' ' ' ILE . 7.4 t70 -152.15 173.37 15.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -161.77 137.15 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.9 tt -107.84 113.07 26.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.54 129.76 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.28 150.36 23.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.581 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -69.66 126.93 31.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.4 m-70 -153.33 117.05 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -71.7 -58.58 3.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.082 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.76 -42.36 3.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.28 -39.11 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 119' ' ' VAL . 33.5 tp -58.8 -54.03 51.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 88.8 m -55.08 -51.76 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -44.42 -60.09 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -58.2 -46.07 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.4 t -52.18 -62.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . 0.477 ' OE1' HD11 ' A' ' 67' ' ' LEU . 12.0 mm-40 -55.21 -54.62 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -47.87 -55.93 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -66.14 -25.71 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -73.58 146.18 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.87 128.62 44.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -113.45 114.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.42 32.68 4.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -166.63 134.56 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -57.89 -41.57 82.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.37 -36.57 77.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.439 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.59 -49.19 69.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 43' ' ' VAL . 28.8 t80 -61.67 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.44 -34.16 66.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.25 -47.3 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' ARG . 7.1 tp -59.45 -46.13 89.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . 24.3 mt -36.73 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' LEU . 31.8 mtp180 -79.68 -47.14 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 18.1 mt -61.49 -56.56 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -91.01 39.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.93 -66.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -53.57 -38.63 64.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -77.08 163.01 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 122' ' ' HIS . 64.3 tp -82.77 127.0 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD11 HD23 ' A' ' 32' ' ' LEU . 12.2 tp -110.81 147.24 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -134.81 109.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 29' ' ' PHE . 99.5 t -94.85 102.88 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -92.85 119.76 32.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CD2' HG21 ' A' ' 89' ' ' ILE . 12.2 m-85 -81.41 121.3 26.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.406 ' CE2' ' HG3' ' A' ' 76' ' ' GLU . 21.9 p-90 -124.73 128.86 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -111.84 142.8 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -7.16 20.39 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 67.3 p-90 -103.38 -32.56 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.79 109.2 28.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.699 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -20.75 34.09 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 110' ' ' ALA . 13.8 tp60 -55.06 -26.18 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.4 p -59.52 -17.23 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -68.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.92 -38.93 70.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.8 mmt -59.34 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -74.84 -41.38 59.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.56 -44.44 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.01 -39.89 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.411 ' HG2' HD21 ' A' ' 115' ' ' LEU . 8.6 mtm -69.41 -49.49 54.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.04 -52.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.05 -53.78 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.771 HD13 HG21 ' A' ' 119' ' ' VAL . 31.7 mt -43.61 -59.76 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.88 -44.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -64.61 -46.56 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -63.08 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HG12 ' A' ' 119' ' ' VAL . 4.2 mt -120.71 90.7 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.04 36.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -84.13 7.86 17.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 71' ' ' SER . 73.7 t -112.67 157.98 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.3 m -126.78 105.37 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.407 ' HZ ' HG11 ' A' ' 119' ' ' VAL . 84.8 m-85 -93.68 115.35 27.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.18 128.41 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -104.7 131.12 52.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.9 tt -124.14 151.0 44.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 tt0 -96.68 120.78 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.19 92.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -78.58 -27.1 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.15 -33.37 40.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.29 81.03 50.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.45 25.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 27.8 tp10 -45.29 -54.85 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.54 -46.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . 11.9 m -53.6 -34.11 57.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -66.02 -59.92 3.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 12.0 tttm -43.71 -57.39 3.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 96.8 m-85 -80.3 -14.72 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 84' ' ' SER . 13.6 mt-10 63.01 42.8 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.648 HG21 ' CD2' ' A' ' 45' ' ' PHE . 15.6 mm -77.79 85.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -103.56 41.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.1 p -158.26 136.0 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.623 HG12 ' HB3' ' A' ' 45' ' ' PHE . 29.1 m -144.52 151.28 50.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 54.1 Cg_endo -69.71 159.98 88.63 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.361 -0.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.3 m -158.16 121.45 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -98.66 152.61 19.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.41 HD11 HD11 ' A' ' 89' ' ' ILE . 14.6 mt -139.2 106.79 5.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 79.9 m-85 -80.24 111.83 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -110.58 119.27 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -112.09 126.38 55.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 49.89 34.42 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 72.16 32.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -147.41 113.51 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.02 131.41 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.9 pt -119.43 -32.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.3 t0 -152.88 147.87 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 6.9 ttm180 -131.5 143.66 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.599 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.3 tt -122.45 109.77 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -104.81 125.59 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 111' ' ' HIS . . . 106.11 123.84 5.21 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.642 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -50.61 106.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 88.3 m-70 -135.12 119.72 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.08 -59.89 4.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.73 -47.98 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 5.8 tp10 -49.64 -36.07 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.73 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.2 tp -66.17 -59.31 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.453 HG23 HD21 ' A' ' 63' ' ' LEU . 94.5 m -50.05 -44.97 51.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -52.74 -59.94 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.599 ' HD2' HD12 ' A' ' 107' ' ' LEU . 32.1 mttm -56.08 -41.24 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.771 HG21 HD13 ' A' ' 63' ' ' LEU . 57.7 t -58.51 -62.68 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.27 -54.83 18.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -50.07 -56.71 9.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 45.3 m-70 -68.56 -8.18 39.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.9 p . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.801 0.334 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.06 158.04 35.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.27 131.0 56.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.4 t -83.36 123.52 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.3 -34.09 13.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 p -163.55 173.51 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . . . -48.21 -59.67 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.14 -57.01 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.75 -59.81 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 43' ' ' VAL . 36.8 t80 -55.03 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.5 -40.34 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.37 -58.74 5.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.2 tp -47.53 -49.54 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.6 mt -34.25 -50.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -57.07 -62.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.55 -53.57 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -89.92 42.36 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.77 -54.59 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.5 -43.88 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -72.53 179.53 3.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -99.0 132.71 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -112.46 143.11 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.1 105.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 29' ' ' PHE . 97.4 t -100.09 105.94 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 6.8 t-80 -94.78 139.55 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.7 m-85 -99.32 103.0 14.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -108.2 136.17 48.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB1' ' CE2' ' A' ' 49' ' ' TRP . . . -113.01 139.03 22.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.2 3.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.629 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 22.2 p-90 -117.93 -53.04 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.629 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -53.06 119.92 18.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -3.44 12.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ALA . 62.5 mt-30 -73.92 -61.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 28.6 p -35.96 -31.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -39.45 -70.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 59' ' ' VAL . 3.5 pt20 -66.08 -52.97 43.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 24.1 mmm -40.58 -33.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.42 -67.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 7.1 pt-20 -47.74 -36.08 10.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.476 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 90.6 t -60.17 -39.91 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.9 mtp -66.07 -59.77 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.67 -40.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.13 -37.74 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 60' ' ' MET . 36.7 mt -70.26 -49.89 45.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.8 19.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 66' ' ' GLU . 18.4 ptpt -65.37 -47.69 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.3 tp10 -54.0 -46.38 71.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.03 94.26 47.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.15 26.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 70' ' ' VAL . 7.6 pt20 -61.72 -33.77 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 71' ' ' SER . 48.7 t -79.97 153.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' HG12 ' A' ' 70' ' ' VAL . 61.2 m -116.36 101.63 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.42 ' C ' HG23 ' A' ' 20' ' ' VAL . 80.4 m-85 -91.23 126.81 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.454 ' CG2' HG22 ' A' ' 43' ' ' VAL . 20.9 m -135.16 122.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -98.39 131.68 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -127.29 124.34 38.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -70.36 122.89 20.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.39 74.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -84.67 -27.34 27.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.03 -52.6 8.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -112.05 79.4 2.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -40.92 4.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.224 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' A' ' 26' ' ' ALA . 3.9 pt-20 -40.07 -50.95 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.38 -57.82 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLU . 12.9 m -40.83 -42.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.44 -57.09 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -41.79 -61.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.13 -14.33 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' SER . 43.5 mt-10 65.55 41.76 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.639 HD11 HD11 ' A' ' 96' ' ' LEU . 23.7 mm -77.89 90.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -107.22 39.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.3 p -157.36 135.98 11.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 45' ' ' PHE . 20.1 m -145.62 150.46 43.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.608 0.718 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.7 Cg_endo -69.77 162.51 84.02 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.322 -0.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 m -161.41 126.91 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 27.5 m-85 -106.79 144.23 33.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 89' ' ' ILE . 85.3 mt -130.4 107.99 9.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -82.34 116.63 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.61 125.22 53.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -123.13 115.75 22.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 62.44 37.31 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 66.94 36.51 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -151.36 125.03 9.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -66.64 117.09 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.8 pt -105.29 -27.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 104' ' ' ILE . 12.5 t70 -156.36 156.95 34.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.501 ' CG ' HD23 ' A' ' 96' ' ' LEU . 4.1 tmm_? -146.69 147.68 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -102.37 129.33 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.06 158.18 25.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -81.37 94.06 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.5 m-70 -122.07 113.26 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.49 -58.27 7.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.646 0.736 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.76 -49.58 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 26.9 tt0 -46.13 -45.55 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 47.7 tp -56.9 -65.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 m -38.51 -51.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -48.05 -62.1 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.417 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 25.2 mttp -54.29 -42.17 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.6 t -55.49 -54.04 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.01 -51.95 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -51.59 -61.99 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 39.9 m-70 -57.62 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HB2' HG12 ' A' ' 73' ' ' VAL . 3.5 mm-40 -76.66 157.94 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.86 116.63 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.733 HG11 ' HB2' ' A' ' 29' ' ' PHE . 99.1 t -107.83 107.87 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.09 37.48 3.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.43 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 80' ' ' VAL . 20.8 p -173.41 155.26 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.83 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.16 -41.73 96.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.507 ' HB3' HG13 ' A' ' 23' ' ' VAL . 46.9 tt0 -60.88 -53.89 51.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.733 ' HB2' HG11 ' A' ' 23' ' ' VAL . 7.0 t80 -61.35 -62.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -47.46 -39.64 16.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.68 -53.76 46.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.763 HD23 HD11 ' A' ' 41' ' ' LEU . 5.8 tp -49.54 -51.86 33.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD21 ' CG ' ' A' ' 98' ' ' PHE . 11.4 mt -34.28 -40.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -70.68 -60.82 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.76 -53.32 49.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -90.19 42.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.29 -47.6 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -57.26 -49.34 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -78.24 174.72 10.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 122' ' ' HIS . 19.5 tp -89.51 126.08 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.763 HD11 HD23 ' A' ' 32' ' ' LEU . 5.2 tp -105.84 149.02 26.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -138.27 110.79 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.643 HG21 ' CE1' ' A' ' 29' ' ' PHE . 96.0 t -99.7 99.63 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 4.8 t-80 -88.53 132.05 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.716 ' HB3' HG12 ' A' ' 92' ' ' VAL . 11.8 m-85 -90.36 103.04 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.6 p-90 -98.93 136.04 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -122.46 144.07 41.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.87 6.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 22.6 p-90 -71.63 -51.54 22.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -67.68 112.31 10.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.71 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.56 28.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' CYS . 18.4 mp0 -62.03 -48.02 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 25.4 p -36.0 -37.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HA ' ' OD1' ' A' ' 57' ' ' ASN . . . -52.7 -70.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 59' ' ' VAL . 5.1 mm-40 -37.3 -44.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 11.1 mmt -64.99 -58.65 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.511 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -40.27 -38.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.83 -53.32 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 55' ' ' GLN . 96.5 t -54.86 -43.17 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.79 -55.34 35.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.8 -51.33 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 21.0 mt -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.14 -59.35 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -67.05 -48.7 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -47.28 -47.31 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 29.9 mt -114.35 93.23 30.72 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.74 -15.61 37.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -96.12 24.96 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.46 139.31 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.639 ' HB2' HD12 ' A' ' 41' ' ' LEU . 69.6 m -104.76 105.32 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 63' ' ' LEU . 94.8 m-85 -95.6 120.27 35.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.618 HG12 ' HB2' ' A' ' 21' ' ' GLU . 15.6 m -134.26 130.23 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -108.26 129.73 55.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.536 HD23 ' N ' ' A' ' 76' ' ' GLU . 9.8 tt -116.65 141.13 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 37.7 tt0 -88.67 100.48 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -42.94 -43.5 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -77.36 -24.64 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -76.52 -41.07 25.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 25' ' ' SER . 81.8 t -127.26 82.94 67.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 111.1 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.79 37.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.18 -53.67 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.92 -43.64 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.0 m -52.67 -39.64 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.09 -57.02 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -42.83 -61.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -75.97 -12.66 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 62.67 43.67 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.691 HD12 HG21 ' A' ' 94' ' ' THR . 24.4 mm -79.38 92.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -109.08 39.6 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.9 p -161.58 141.67 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.716 HG12 ' HB3' ' A' ' 45' ' ' PHE . 27.0 m -145.16 151.17 47.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.75 165.14 77.38 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.331 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.691 HG21 HD12 ' A' ' 89' ' ' ILE . 21.7 m -156.53 119.27 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 44' ' ' HIS . 76.7 m-85 -101.66 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.556 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 31.1 mt -122.01 105.26 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -78.98 119.67 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -116.99 113.4 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -110.14 112.94 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.06 41.76 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m 62.71 37.21 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -154.25 112.76 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -55.45 127.39 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 105' ' ' ASP . 38.1 pt -119.91 -34.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 104' ' ' ILE . 9.9 t70 -136.98 169.34 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -163.04 143.56 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.579 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.6 tt -126.3 121.15 31.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.406 ' N ' HD23 ' A' ' 107' ' ' LEU . 8.9 p-10 -108.12 138.7 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.21 148.32 23.89 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.62 99.85 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 80.2 m-70 -127.91 117.24 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -70.67 -59.27 3.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -51.98 -43.89 63.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 119' ' ' VAL . 53.5 tp -54.98 -58.26 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' LYS . 90.0 m -48.93 -60.33 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' THR . 49.8 mttm -34.6 -67.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.579 ' HD2' HD12 ' A' ' 107' ' ' LEU . 45.5 mttp -52.28 -49.28 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 115' ' ' LEU . 99.5 t -51.05 -63.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -49.55 -57.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -46.49 -60.39 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.453 ' C ' HD22 ' A' ' 40' ' ' LEU . 63.9 m-70 -63.33 -23.52 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -173.62 106.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.356 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 m -148.04 162.24 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -130.97 85.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.531 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 20.6 t -37.13 -44.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.831 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 t 54.91 42.15 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.29 -119.75 4.09 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.1 mtt -157.94 139.44 13.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.27 162.63 20.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.38 118.39 27.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.66 59.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.66 144.77 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 111.112 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.66 176.69 8.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -153.11 130.15 11.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -111.7 172.36 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.04 119.91 32.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 19' ' ' ALA . 95.2 t -120.25 134.52 63.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.28 42.4 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -114.0 152.87 30.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.09 122.38 36.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.851 ' HB2' HG12 ' A' ' 73' ' ' VAL . 44.2 mt-10 -76.81 147.16 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -105.53 110.64 23.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 29' ' ' PHE . 24.5 t -95.79 118.39 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.34 23.3 7.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.7 p -165.99 148.64 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.98 -38.53 91.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -47.69 71.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -57.11 -51.83 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 43' ' ' VAL . 21.0 t80 -63.14 -61.35 2.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -50.25 -31.7 14.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.88 -53.65 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.876 HD23 HD11 ' A' ' 41' ' ' LEU . 7.6 tp -52.9 -42.57 65.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt -35.47 -50.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -66.86 -56.55 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.21 -61.8 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' HB2' HD13 ' A' ' 41' ' ' LEU . 13.6 mmtm -84.33 40.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -73.75 -49.67 24.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.104 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.92 -47.28 85.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.2 p -74.04 -178.47 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 123' ' ' ALA . 40.3 tp -99.77 114.96 28.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.876 HD11 HD23 ' A' ' 32' ' ' LEU . 8.6 tp -94.74 134.55 37.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -122.95 107.46 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.626 HG21 ' CE1' ' A' ' 29' ' ' PHE . 99.0 t -96.67 106.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -101.52 137.18 40.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 47.0 m-85 -95.81 107.34 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.586 ' CZ2' ' HG3' ' A' ' 76' ' ' GLU . 34.9 p-90 -106.75 146.81 30.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.603 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -130.56 138.62 33.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.31 4.51 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.603 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 60.1 p-90 -116.15 -50.97 2.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.87 121.91 53.5 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 111.123 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.461 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 53.5 Cg_endo -69.78 -33.88 15.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 mp0 -53.89 -46.76 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 62.2 m -54.62 -19.23 5.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 51' ' ' PRO . . . -60.22 -67.68 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -64.47 -40.63 96.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.424 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 13.3 mmt -53.75 -31.78 49.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -74.32 -44.91 50.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -60.16 -43.6 95.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.3 -45.56 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' ALA . 50.4 mtp -52.31 -55.35 22.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.39 -56.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.08 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -55.63 -61.34 2.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.33 -58.61 1.48 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.26 -37.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -71.74 -47.54 53.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -60.66 -42.42 96.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.518 ' HB3' HG23 ' A' ' 70' ' ' VAL . 42.1 mt -109.67 89.64 7.87 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.6 37.16 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' NE2' ' HB1' ' A' ' 123' ' ' ALA . 4.9 pp0? -96.59 18.48 14.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 67' ' ' LEU . 91.2 t -118.51 154.55 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' HG12 ' A' ' 70' ' ' VAL . 44.9 m -119.78 115.28 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -106.52 110.71 22.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' A' ' 21' ' ' GLU . 29.3 m -122.36 127.96 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -106.37 131.14 53.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.463 HD22 ' CE2' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -118.55 146.73 44.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 12.9 mt-10 -85.87 112.92 21.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.88 38.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -79.72 -25.57 41.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -68.35 -39.78 87.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.3 t -125.43 81.15 64.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -5.74 16.92 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.33 -47.57 55.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.1 t -78.79 -45.35 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.2 m -52.32 -36.67 53.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -61.9 -56.17 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -46.54 -59.45 2.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -79.19 -10.42 59.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 84' ' ' SER . 36.8 mt-10 59.65 42.95 16.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 94' ' ' THR . 10.1 mm -81.45 93.43 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -115.57 41.32 2.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -159.63 142.1 13.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.52 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 3.5 m -143.55 154.1 59.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.599 0.714 . . . . 0.0 111.086 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.647 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.4 Cg_endo -69.78 164.61 78.84 Favored 'Cis proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.722 -1.782 . . . . 0.0 112.362 -0.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.635 HG21 HD12 ' A' ' 89' ' ' ILE . 17.6 m -157.91 123.87 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -110.98 139.11 46.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.486 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 28.7 mt -127.47 113.79 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -85.5 110.71 19.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 94.2 m-85 -109.12 116.47 32.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 mmtt -119.84 119.96 35.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.427 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 13.0 t-20 63.3 37.3 11.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.6 p 61.78 36.3 16.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 104' ' ' ILE . 48.4 mt-30 -152.94 110.62 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.451 ' HD2' HD22 ' A' ' 96' ' ' LEU . 18.9 ttpp -51.6 126.81 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 102' ' ' GLN . 7.0 pt -120.45 -21.37 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -150.44 164.83 34.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.423 ' HG3' HD23 ' A' ' 96' ' ' LEU . 19.6 ttt180 -162.42 134.21 5.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.587 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.3 tt -115.14 122.24 45.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -106.27 134.56 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 96.62 154.95 30.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -77.76 98.86 5.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.4 m-70 -126.85 114.62 18.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.0 -59.76 6.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 111.067 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.0 Cg_endo -69.78 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.326 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 1.6 tp10 -47.24 -36.78 9.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 119' ' ' VAL . 18.8 tp -65.99 -61.15 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 61.8 m -44.44 -49.66 9.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -47.47 -61.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.587 ' HD2' HD12 ' A' ' 107' ' ' LEU . 29.6 mttp -56.27 -48.09 77.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 115' ' ' LEU . 92.9 t -50.92 -57.92 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -59.24 -51.65 69.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttt85 -41.53 -62.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 123' ' ' ALA . 66.5 m-70 -68.24 -53.77 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.482 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -34.89 -35.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 122' ' ' HIS . 28.1 t -38.21 -59.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.2 m -39.57 116.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.76 -158.08 26.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.77 33.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.654 2.236 . . . . 0.0 112.389 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 60.2 p 45.92 39.3 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.8 m -44.62 134.77 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -124.87 126.17 45.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -159.2 134.61 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.79 47.63 2.75 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -46.85 108.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 m -111.86 106.78 15.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.07 40.34 1.49 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.6 mmm -107.29 85.74 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.75 152.55 46.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.71 91.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.19 97.01 0.64 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.26 95.41 8.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -165.49 123.37 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -127.69 169.38 13.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.28 160.4 28.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.08 105.63 14.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 p -122.7 159.08 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -175.0 137.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.21 149.52 42.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.0 t -74.87 124.31 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -80.5 141.1 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -95.81 109.71 21.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 29' ' ' PHE . 51.6 t -89.95 122.86 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.57 29.01 3.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.5 p -163.82 132.35 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.874 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.82 -53.55 18.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.38 -45.2 45.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -53.49 -48.91 68.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.769 0.319 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.484 ' HB2' HG11 ' A' ' 23' ' ' VAL . 34.0 t80 -65.97 -62.18 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -50.32 -34.79 24.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.8 -45.23 71.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.72 HD23 HD11 ' A' ' 41' ' ' LEU . 2.3 tp -60.08 -48.84 80.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 32' ' ' LEU . 11.5 mt -35.43 -41.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -74.17 -56.04 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.1 mt -52.48 -56.19 16.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -87.83 38.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.11 -44.88 59.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -63.26 -43.99 96.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -85.59 152.85 22.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 tp -71.36 122.35 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.72 HD11 HD23 ' A' ' 32' ' ' LEU . 7.8 tp -97.33 130.14 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -118.98 103.06 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.0 t -81.35 152.84 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -142.83 121.43 12.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.7 ' HB3' HG12 ' A' ' 92' ' ' VAL . 23.8 m-85 -91.77 124.48 35.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 49.1 p-90 -123.85 136.57 54.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -114.08 141.43 26.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.62 0.724 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -0.06 6.38 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 15.0 p-90 -117.31 -40.78 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -73.66 123.76 89.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.556 0.693 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -41.4 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.378 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' CYS . 55.2 mt-30 -37.09 -41.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 54' ' ' ALA . 12.2 p -36.09 -46.6 0.5 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' N ' ' SG ' ' A' ' 53' ' ' CYS . . . -62.98 -64.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.762 ' H ' ' NE2' ' A' ' 55' ' ' GLN . 2.3 mp0 -35.43 -38.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.2 mmt -79.2 -46.19 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 54' ' ' ALA . 10.6 t30 -45.15 -52.02 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -56.71 -60.03 4.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.2 t -48.62 -40.04 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.2 mtp -56.44 -63.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.96 -54.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -51.58 -43.96 62.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.551 HD21 HG23 ' A' ' 116' ' ' THR . 33.7 mt -67.59 -52.66 35.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' LEU . . . -35.7 -61.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -64.74 -41.32 96.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -55.86 -32.74 63.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 6.6 mt -134.71 92.68 19.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.71 -20.74 34.71 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.739 2.293 . . . . 0.0 112.355 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.444 ' HG2' HG23 ' A' ' 70' ' ' VAL . 5.4 pm0 -74.35 -9.76 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.444 HG23 ' HG2' ' A' ' 69' ' ' GLN . 58.2 t -109.38 141.96 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.8 m -109.24 113.78 26.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.407 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 61.2 m-85 -95.2 119.11 33.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.494 HG11 HD22 ' A' ' 32' ' ' LEU . 19.9 m -125.51 131.15 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -108.08 130.43 55.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.0 tt -128.35 138.16 52.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -87.99 115.54 25.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.24 -54.45 21.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -66.01 -19.79 65.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -77.45 -55.24 4.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.435 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 t -112.87 78.6 2.99 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -5.53 16.41 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.0 t -93.52 -30.96 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 88' ' ' GLU . 19.5 m -60.88 -31.97 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' CG ' ' N ' ' A' ' 86' ' ' LYS . 11.4 pt-20 -70.27 -51.07 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 1.1 tmtp? -45.98 -52.05 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -90.49 -13.56 34.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 84' ' ' SER . 54.0 mt-10 66.79 40.7 3.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.768 HD11 HD11 ' A' ' 96' ' ' LEU . 13.6 mm -74.45 92.9 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -113.95 42.56 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 p -164.94 140.84 5.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.81 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.7 HG12 ' HB3' ' A' ' 45' ' ' PHE . 33.6 m -144.02 150.62 49.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 111.148 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.8 Cg_endo -69.74 164.86 78.09 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.38 -0.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.637 HG21 HD12 ' A' ' 89' ' ' ILE . 12.7 m -154.18 132.5 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.549 ' CD2' HD11 ' A' ' 115' ' ' LEU . 47.3 m-85 -113.72 135.35 54.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.768 HD11 HD11 ' A' ' 89' ' ' ILE . 26.2 mt -127.46 105.7 8.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 78.9 m-85 -79.33 125.05 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 80.6 m-85 -126.72 112.99 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -111.04 106.11 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.04 41.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.9 m 61.72 43.9 9.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -156.15 119.99 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -64.03 129.95 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.483 HG13 ' N ' ' A' ' 105' ' ' ASP . 15.5 pt -126.36 -31.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.528 ' HB3' ' CD1' ' A' ' 97' ' ' PHE . 16.3 t70 -139.09 167.52 21.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.7 ttt180 -163.01 138.77 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -125.13 111.57 15.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -99.13 140.6 33.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.64 167.93 38.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.32 103.43 16.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.341 . . . . 0.0 111.081 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 93.2 m-70 -131.86 117.05 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.58 -60.01 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.702 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.72 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 28.0 tt0 -45.29 -36.66 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.549 HD11 ' CD2' ' A' ' 95' ' ' PHE . 26.3 tp -67.69 -65.9 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.551 HG23 HD21 ' A' ' 63' ' ' LEU . 99.9 m -43.23 -45.19 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -49.94 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -53.59 -51.97 61.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 115' ' ' LEU . 91.9 t -47.5 -55.17 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 94.2 mt-30 -54.75 -56.25 21.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.0 ttt180 -48.61 -62.84 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -55.6 -37.43 68.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 120' ' ' GLN . . . -39.11 -39.18 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.5 m -45.51 105.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 m -135.1 155.48 50.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.7 157.17 41.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.13 27.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.334 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.4 m -78.94 -58.47 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.8 m -110.83 94.7 5.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 m -98.43 111.34 23.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -77.32 171.38 14.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.88 116.05 0.75 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 m -120.14 169.63 10.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 t -88.71 131.52 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.71 147.29 19.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 mmt -110.98 92.93 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.63 -63.11 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.036 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -143.91 130.12 19.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.57 -78.74 0.26 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.04 109.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.825 0.345 . . . . 0.0 111.082 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.87 92.57 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -159.52 135.4 8.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.79 156.11 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.49 125.77 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.7 t -97.36 132.24 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.07 40.82 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.11 146.26 48.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.06 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG12 ' HG2' ' A' ' 74' ' ' LYS . 62.1 t -74.71 121.75 26.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' HB2' HG12 ' A' ' 73' ' ' VAL . 16.6 mt-10 -72.45 144.59 48.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -98.91 111.81 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 29' ' ' PHE . 85.2 t -98.94 118.05 44.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.48 34.99 3.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 p -168.69 135.63 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.12 -48.5 73.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.51 -41.02 63.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -59.82 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.916 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.529 ' CE1' HG21 ' A' ' 43' ' ' VAL . 21.5 t80 -62.29 -57.47 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -52.68 -37.17 58.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -67.36 -51.9 46.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD23 HD11 ' A' ' 41' ' ' LEU . 4.7 tp -52.56 -47.19 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.783 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.6 mt -34.34 -44.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -76.89 -43.55 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 32' ' ' LEU . 6.2 mp -60.58 -61.76 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HB2' HD13 ' A' ' 41' ' ' LEU . 62.2 mmtt -87.79 38.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.45 -52.04 13.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -48.71 -43.4 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -88.27 171.53 10.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.6 tp -84.48 123.44 30.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.961 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.668 HD11 HD23 ' A' ' 32' ' ' LEU . 7.4 tp -100.1 141.27 33.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.0 t -134.79 102.88 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.529 HG21 ' CE1' ' A' ' 29' ' ' PHE . 84.5 t -83.68 118.96 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -108.27 117.31 33.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.711 ' HB3' HG12 ' A' ' 92' ' ' VAL . 10.9 m-85 -76.88 120.55 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.464 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 25.2 p-90 -124.3 129.92 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -121.18 139.45 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.528 0.68 . . . . 0.0 111.146 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.09 6.39 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 46.8 p-90 -117.5 5.78 12.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -117.56 113.63 38.39 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 111.062 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.2 18.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 54' ' ' ALA . 5.1 mp0 -72.84 -44.61 61.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.6 p -38.45 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -64.03 -64.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.672 ' O ' HG23 ' A' ' 59' ' ' VAL . 4.7 mm-40 -46.45 -52.67 12.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.434 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 11.2 mmt -63.69 -46.32 86.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -43.71 -60.48 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -55.1 -52.49 63.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' GLN . 60.0 t -49.72 -44.56 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.5 mtp -59.0 -60.81 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.96 -54.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -54.68 -34.39 62.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.625 HD13 HG21 ' A' ' 119' ' ' VAL . 84.5 mt -74.69 -49.03 22.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -38.99 -54.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -53.8 27.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -43.36 -49.06 7.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD1' HG12 ' A' ' 119' ' ' VAL . 18.9 mt -110.98 92.74 15.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.5 Cg_endo -69.79 -15.49 37.0 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -93.37 18.39 9.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' SER . 95.2 t -125.2 155.87 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.666 ' HB3' HD12 ' A' ' 41' ' ' LEU . 2.2 t -122.95 117.98 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.41 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.5 m-85 -106.32 114.03 27.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 21' ' ' GLU . 16.1 m -123.07 130.74 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.516 ' HG2' HG12 ' A' ' 20' ' ' VAL . 7.6 ptmt -109.32 133.93 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.551 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.5 tt -122.93 145.36 48.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.78 108.59 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.69 -55.84 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.64 -27.32 67.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.23 61.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.3 t -130.54 83.02 63.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.78 37.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -60.15 -50.82 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.4 -45.46 78.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 88' ' ' GLU . 14.3 m -55.84 -41.02 73.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.5 -59.3 5.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -44.18 -59.01 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -76.63 -14.57 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 84' ' ' SER . 45.0 mt-10 64.7 37.04 7.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.95 HD12 HG21 ' A' ' 94' ' ' THR . 5.3 mm -69.84 94.88 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -114.29 43.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.1 p -166.56 124.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 45' ' ' PHE . 3.7 m -127.0 154.15 76.47 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.717 . . . . 0.0 111.17 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.72 165.05 77.54 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.36 -0.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.95 HG21 HD12 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -131.88 156.09 46.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -141.04 110.19 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 84.5 mt -114.72 104.5 12.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -82.22 112.16 18.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -108.66 123.24 48.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -109.57 94.31 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.21 40.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.84 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.783 ' HA ' HD22 ' A' ' 33' ' ' LEU . 4.3 t 72.05 28.34 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -142.36 111.16 6.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -59.3 127.77 33.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 105' ' ' ASP . 47.3 pt -119.45 -37.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.504 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 14.6 t0 -137.21 170.27 16.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 -162.16 145.03 11.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.771 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.2 tt -126.64 113.7 17.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 108' ' ' ASP . 22.7 t0 -98.42 124.56 43.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.74 154.71 13.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.12 82.44 8.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 91.2 m-70 -108.35 118.02 35.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.753 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.58 -58.49 8.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.554 0.692 . . . . 0.0 111.07 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.71 -49.37 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.73 2.287 . . . . 0.0 112.368 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.1 tt0 -50.61 -42.26 55.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 119' ' ' VAL . 52.2 tp -55.87 -61.29 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 77.5 m -48.42 -47.37 37.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -49.29 -53.46 21.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.771 ' HD2' HD12 ' A' ' 107' ' ' LEU . 49.2 mttm -65.28 -45.55 84.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 63' ' ' LEU . 90.0 t -53.17 -59.15 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -57.99 -51.93 67.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -44.03 -59.11 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 57.8 m-70 -64.9 -53.21 50.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . -34.19 -41.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 123' ' ' ALA . 3.0 m -34.81 138.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.4 m -74.53 175.29 7.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 131.68 -157.98 22.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 145.53 57.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 53.4 m -75.73 -51.73 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 65.7 p -117.6 174.64 6.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t 57.62 41.94 24.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t 70.27 42.62 0.92 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.52 111.97 3.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p -173.16 134.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -160.14 137.37 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.98 118.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mtt -142.88 144.2 32.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.54 109.19 3.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.95 132.9 45.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 116.62 -135.99 12.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 60.29 42.83 14.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.339 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.76 90.71 2.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -158.71 116.83 2.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.16 162.75 13.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -173.41 141.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 61.3 t -99.85 122.46 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -97.46 45.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.96 152.33 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.8 t -76.72 115.63 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -74.4 150.65 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -102.8 105.31 15.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG11 ' HB2' ' A' ' 29' ' ' PHE . 94.6 t -91.81 118.67 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.7 27.56 5.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.4 p -165.58 147.68 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.55 -30.27 71.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.23 -34.56 75.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' NE2' HG22 ' A' ' 23' ' ' VAL . 17.1 tt0 -69.62 -38.43 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -77.48 -52.63 8.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HA ' HD12 ' A' ' 33' ' ' LEU . 19.0 mt-10 -52.3 -39.86 61.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 10.1 pt-20 -73.84 -43.74 57.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.671 ' CD2' HG11 ' A' ' 73' ' ' VAL . 4.0 tp -63.25 -24.08 67.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.598 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 10.5 mt -63.75 -27.97 69.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -81.08 -46.91 14.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -67.92 -53.64 24.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -85.93 35.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -81.98 -48.93 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 39' ' ' SER . 20.5 pttt -58.83 -32.36 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 50.2 m -92.37 165.36 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD13 ' HZ2' ' A' ' 99' ' ' LYS . 43.4 tp -78.41 107.07 10.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 tp -94.13 130.32 40.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.93 102.03 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 29' ' ' PHE . 98.5 t -83.45 105.42 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CG ' ' SD ' ' A' ' 60' ' ' MET . 12.9 t-80 -97.8 129.86 44.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.645 ' HD2' ' HB2' ' A' ' 77' ' ' ALA . 14.1 m-85 -87.35 128.1 35.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.502 ' CD1' ' HE3' ' A' ' 74' ' ' LYS . 17.8 p-90 -126.55 137.02 53.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -129.93 147.91 67.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.69 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -24.27 29.83 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 14.4 p-90 -88.28 -53.24 4.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -58.15 112.63 5.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -45.55 -51.73 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 90.9 m -43.99 -30.98 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.94 -51.12 62.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -65.08 -57.63 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.401 ' CE ' ' HA ' ' A' ' 56' ' ' MET . 16.1 mmt -39.89 -35.4 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -56.94 -65.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.56 -37.25 57.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.8 t -63.06 -35.93 73.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.501 ' SD ' ' CG ' ' A' ' 44' ' ' HIS . 83.8 mtp -72.27 -50.55 26.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.82 5.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -52.16 -32.78 37.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.6 mt -75.49 -36.97 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.476 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -49.71 -57.92 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.4 -42.25 31.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 8.8 mt -115.63 90.13 25.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.71 -16.62 37.85 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.683 2.255 . . . . 0.0 112.315 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -93.23 19.03 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.0 t -130.49 138.81 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.9 m -104.46 115.67 30.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -103.22 112.96 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.671 HG11 ' CD2' ' A' ' 32' ' ' LEU . 23.1 m -123.6 131.05 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.502 ' HE3' ' CD1' ' A' ' 46' ' ' TRP . 10.5 ptmt -114.17 137.75 51.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.629 HD11 ' HB ' ' A' ' 80' ' ' VAL . 4.1 tt -125.16 146.75 49.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 79' ' ' GLY . 37.9 tt0 -88.25 104.13 16.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.645 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -43.87 -37.89 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -82.01 -23.94 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -78.93 -41.56 14.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.494 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.629 ' HB ' HD11 ' A' ' 75' ' ' LEU . 44.6 t -121.09 82.11 36.79 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.558 0.694 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -22.33 32.04 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -58.76 -54.79 43.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.96 -46.94 90.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLU . 37.7 m -52.62 -40.3 62.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -60.38 -59.34 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -43.31 -60.24 1.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -76.03 -13.17 60.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 39.9 mt-10 63.31 37.3 11.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.962 HD12 HG21 ' A' ' 94' ' ' THR . 12.2 mm -70.5 98.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.3 t -120.55 39.51 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -162.66 129.09 3.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 45' ' ' PHE . 2.7 m -129.58 154.56 80.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.144 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.77 165.06 77.65 Favored 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.732 -1.779 . . . . 0.0 112.328 0.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.962 HG21 HD12 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -133.41 153.78 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -140.96 110.05 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.6 mt -113.4 104.95 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -79.07 103.16 8.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -97.07 119.51 35.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HZ2' HD13 ' A' ' 40' ' ' LEU . 11.6 tptt -120.08 98.59 6.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.549 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 4.0 t-20 72.18 47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 m 60.12 32.9 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -149.25 125.43 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -69.46 121.84 17.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 28.7 pt -116.82 -28.04 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.598 ' CG ' ' CE1' ' A' ' 122' ' ' HIS . 0.5 OUTLIER -142.42 160.75 39.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -161.59 133.2 5.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.6 tt -117.77 110.49 17.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -95.62 125.59 40.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 110.46 150.08 12.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.09 87.3 2.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 96.7 m-70 -115.21 111.24 20.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -59.5 9.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.58 0.705 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.78 -49.76 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.679 2.252 . . . . 0.0 112.342 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 4.4 tp10 -50.29 -35.0 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 119' ' ' VAL . 51.3 tp -64.77 -61.57 2.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.1 m -45.16 -54.49 6.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -41.99 -61.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.629 ' HD2' HD12 ' A' ' 107' ' ' LEU . 33.6 mttp -55.6 -55.42 32.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 115' ' ' LEU . 65.3 t -45.8 -60.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -53.14 -56.45 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -42.78 -63.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.598 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 45.5 m-70 -57.28 -54.43 46.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . -34.14 -34.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 122' ' ' HIS . 10.1 t 58.03 54.75 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.0 t -90.16 -179.23 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -112.35 94.05 0.72 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 128' ' ' SER . 54.2 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 127' ' ' PRO . 3.2 m -35.44 119.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.0 t -88.47 92.14 9.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t -93.53 101.89 14.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.941 0.4 . . . . 0.0 110.867 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 t -55.81 -50.19 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.1 -131.73 2.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -97.35 140.88 31.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.868 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -51.15 -62.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.59 -151.47 15.35 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 ttt -166.57 105.39 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.2 166.96 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.072 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.37 135.99 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.6 -156.93 10.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -138.82 150.45 46.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.13 97.06 8.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -57.66 159.41 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.05 130.4 55.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.13 119.37 28.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.539 HG12 ' H ' ' A' ' 19' ' ' ALA . 96.8 t -106.58 132.58 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.765 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -100.88 41.73 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.539 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -125.05 153.84 42.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 20' ' ' VAL . 3.6 p -83.57 111.72 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -79.16 149.04 32.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.42 129.13 43.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 29' ' ' PHE . 86.6 t -104.66 103.11 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.01 36.72 3.95 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.4 p -174.3 139.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.69 92.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.073 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.38 -39.84 74.39 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -60.78 -51.66 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.963 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 43' ' ' VAL . 24.2 t80 -62.26 -62.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 33' ' ' LEU . 57.6 mt-10 -44.2 -36.44 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -75.27 -55.28 5.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.719 HD23 HD11 ' A' ' 41' ' ' LEU . 2.4 tp -52.04 -26.69 11.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 30' ' ' GLU . 13.5 mt -54.01 -43.33 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 10.8 ptt180 -79.8 -43.68 22.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 18.5 mt -56.15 -56.94 14.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.473 ' HB2' HD13 ' A' ' 41' ' ' LEU . 70.5 mmtt -92.92 40.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.29 -42.66 59.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -59.92 -47.77 84.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 m -83.29 169.31 15.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 123' ' ' ALA . 57.8 tp -81.79 124.88 30.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.719 HD11 HD23 ' A' ' 32' ' ' LEU . 8.3 tp -99.28 141.15 32.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.9 t -131.26 103.17 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 29' ' ' PHE . 91.0 t -93.31 107.77 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.493 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 9.9 t-80 -100.28 125.21 46.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.753 ' HB3' HG12 ' A' ' 92' ' ' VAL . 14.1 m-85 -82.93 111.79 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.2 p-90 -115.98 147.09 41.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.547 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -128.92 142.02 43.68 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 2.97 3.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.342 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.547 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 17.9 p-90 -119.1 -47.29 2.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.15 119.17 29.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.564 0.697 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.407 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 53.6 Cg_endo -69.78 -30.42 22.21 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.24 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' NE2' ' HD2' ' A' ' 93' ' ' PRO . 23.4 mt-30 -46.12 -55.18 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.5 t -40.46 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -48.5 -69.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -61.94 -51.87 66.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' ASN . 18.1 mmt -44.78 -63.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' MET . 27.1 t30 -34.36 -53.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -55.41 -55.77 27.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -46.11 -45.74 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 mtp -56.59 -63.11 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.97 -43.8 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -63.12 -40.32 97.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 60.3 mt -70.66 -42.94 70.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 72' ' ' PHE . . . -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.105 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.765 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 55.3 pttt -66.7 -47.13 73.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -45.69 -40.58 9.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.62 94.62 42.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.604 0.716 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.25 37.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.697 2.265 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.12 16.14 11.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -127.98 137.51 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.594 ' HB3' HD12 ' A' ' 41' ' ' LEU . 18.0 t -101.08 116.15 32.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.817 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.495 ' CD2' ' HA ' ' A' ' 64' ' ' ALA . 90.2 m-85 -104.58 117.83 35.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.525 HG11 ' CD2' ' A' ' 32' ' ' LEU . 34.6 m -127.08 139.45 51.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.8 113.77 21.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.5 tt -106.65 140.03 40.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -85.72 113.01 21.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -49.16 -45.81 44.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.074 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -77.65 -26.32 50.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -72.19 -40.42 55.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.0 t -128.57 82.14 69.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.575 0.702 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -17.35 37.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -57.34 -52.11 66.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.5 t -71.07 -45.78 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.8 m -49.11 -37.6 22.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -63.71 -58.71 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.522 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 0.9 OUTLIER -41.17 -61.87 0.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.522 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 98.1 m-85 -80.03 -13.35 59.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 84' ' ' SER . 30.1 mt-10 63.44 45.88 4.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.642 HG21 ' CD2' ' A' ' 45' ' ' PHE . 29.6 mm -81.29 92.07 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.8 p -110.25 38.93 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.2 p -158.5 141.78 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.753 HG12 ' HB3' ' A' ' 45' ' ' PHE . 29.5 m -145.07 151.25 48.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.5 Cg_endo -69.77 164.91 78.04 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.378 -0.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.469 HG21 HD12 ' A' ' 89' ' ' ILE . 85.5 m -160.9 115.72 2.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 53.5 m-85 -98.09 145.63 26.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.9 mt -134.15 108.78 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -79.0 125.91 30.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -123.2 123.23 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -122.24 100.31 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 74.85 39.38 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.6 t 66.99 34.1 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -147.31 126.03 12.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -68.42 119.81 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 22.9 pt -106.87 -29.71 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -145.93 173.08 12.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -157.84 142.91 16.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -130.03 117.64 20.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -103.26 140.1 37.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 84.27 156.93 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.71 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.23 106.89 8.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.835 0.35 . . . . 0.0 111.087 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.493 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.6 m-70 -128.27 115.42 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.757 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.18 -58.64 5.94 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.552 0.692 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.757 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.79 -45.88 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.254 . . . . 0.0 112.322 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 9.6 tt0 -54.06 -47.21 71.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.948 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.6 tp -57.55 -54.34 48.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 90.3 m -55.05 -51.32 66.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -47.08 -61.15 2.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -57.69 -47.41 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 115' ' ' LEU . 85.8 t -50.36 -54.76 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -60.97 -49.38 77.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -52.42 -62.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 123' ' ' ALA . 64.5 m-70 -59.62 -46.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.453 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -34.06 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 122' ' ' HIS . 27.2 t -72.65 94.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 84.5 p -92.28 153.95 18.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -108.62 163.55 12.71 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 136.69 33.59 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.8 m -79.75 -43.47 22.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.3 t -44.6 146.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 m -99.49 88.81 3.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -68.98 -56.97 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.13 109.88 1.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -170.21 117.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.916 0.389 . . . . 0.0 110.899 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -83.4 48.6 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.5 155.65 31.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.7 tpp -119.57 -55.44 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.742 0.306 . . . . 0.0 110.841 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -140.96 151.94 44.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.01 127.98 35.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 12' ' ' ALA . . . -134.72 83.08 0.29 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.476 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . 72.17 41.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.47 150.54 22.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -133.73 142.66 48.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -128.8 37.74 4.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -141.14 120.23 12.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 19' ' ' ALA . 61.2 t -114.68 131.4 66.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.11 44.69 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.112 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -124.89 153.88 41.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.061 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.21 109.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -75.61 127.46 33.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.97 103.84 16.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.521 HG13 ' HB3' ' A' ' 28' ' ' GLN . 61.4 t -53.27 116.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.24 -36.44 55.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.1 p -160.91 172.27 17.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.892 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.12 -46.56 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.8 -45.91 48.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.521 ' HB3' HG13 ' A' ' 23' ' ' VAL . 21.4 tt0 -59.51 -48.81 80.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.571 ' CE1' HG21 ' A' ' 43' ' ' VAL . 32.4 t80 -68.18 -64.31 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HA ' HD12 ' A' ' 33' ' ' LEU . 8.3 mm-40 -42.74 -41.63 3.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.05 -53.78 34.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.781 HD23 HD11 ' A' ' 41' ' ' LEU . 4.5 tp -49.9 -44.75 50.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 101' ' ' SER . 15.7 mt -40.31 -43.57 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -73.28 -53.97 9.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 mt -53.99 -62.0 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -83.09 39.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.44 -47.02 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -58.86 -47.34 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -80.87 175.86 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.497 HD22 ' C ' ' A' ' 122' ' ' HIS . 26.2 tp -89.72 135.52 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.781 HD11 HD23 ' A' ' 32' ' ' LEU . 6.9 tp -112.71 141.49 46.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.77 104.65 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 29' ' ' PHE . 93.8 t -94.57 98.43 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 3.3 t-160 -93.48 121.34 34.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.764 ' HB3' HG12 ' A' ' 92' ' ' VAL . 17.8 m-85 -80.44 110.62 16.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 35.8 p-90 -110.53 146.9 35.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.606 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -132.57 143.12 47.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.26 9.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.379 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.606 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 69.7 p-90 -109.94 -45.2 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . . . -60.87 111.32 3.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 50' ' ' ALA . 53.8 Cg_endo -69.73 -10.56 28.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -66.72 -50.1 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 11.8 t -38.98 -33.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.78 -70.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.64 ' O ' HG23 ' A' ' 59' ' ' VAL . 3.8 pt20 -70.78 -52.05 23.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.441 ' SD ' ' HB1' ' A' ' 110' ' ' ALA . 28.4 mmm -43.21 -26.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -74.21 -63.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.78 -28.19 33.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 55' ' ' GLN . 89.1 t -65.73 -38.51 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.4 mtm -73.46 -39.97 64.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.89 -52.34 50.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -58.89 -40.75 85.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 79.7 mt -67.36 -37.81 83.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.67 -57.16 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -44.56 75.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -51.8 -43.88 63.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 mt -116.28 94.45 42.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -15.95 37.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -90.41 17.91 6.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 71' ' ' SER . 53.2 t -125.95 156.81 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.611 ' HB2' HD12 ' A' ' 41' ' ' LEU . 20.2 m -125.17 103.39 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 79.0 m-85 -92.31 115.36 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.3 124.45 65.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -103.5 123.49 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' C ' HD23 ' A' ' 75' ' ' LEU . 2.8 tt -115.85 136.09 53.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 79' ' ' GLY . 0.9 OUTLIER -84.85 107.81 17.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.16 -52.08 5.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.06 -25.13 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OE1' ' A' ' 76' ' ' GLU . . . -74.3 -61.41 3.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.1 t -107.92 81.41 1.21 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.181 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -32.12 19.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -44.66 -40.35 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.6 t -83.27 -51.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 88' ' ' GLU . 50.0 m -44.96 -39.93 5.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -58.6 7.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 9.1 tttp -38.86 -62.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.444 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 88.3 m-85 -79.71 -14.21 58.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 84' ' ' SER . 57.5 mt-10 64.32 47.23 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.628 HG21 ' CD2' ' A' ' 45' ' ' PHE . 26.4 mm -82.63 93.14 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 74.2 p -108.81 39.26 2.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 m -158.01 139.58 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 45' ' ' PHE . 32.7 m -145.15 151.03 47.28 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.8 Cg_endo -69.78 164.07 80.25 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.298 -0.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.564 HG21 HD12 ' A' ' 89' ' ' ILE . 16.0 m -161.09 113.45 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 24.9 m-85 -93.72 142.38 27.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.44 HD12 ' HE1' ' A' ' 45' ' ' PHE . 15.8 mt -129.64 110.32 11.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -81.26 115.85 20.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -117.83 111.7 19.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -115.77 107.43 15.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 72.39 41.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.416 ' HA ' HD22 ' A' ' 33' ' ' LEU . 16.4 p 58.87 29.88 19.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -145.01 110.51 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.431 ' HD2' HD22 ' A' ' 96' ' ' LEU . 16.3 ttpp -55.05 128.09 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 105' ' ' ASP . 40.0 pt -115.78 -34.18 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 104' ' ' ILE . 10.2 t70 -144.63 171.39 14.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 31.6 ttt180 -160.42 145.16 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.534 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.4 tt -125.79 118.25 25.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -102.97 137.18 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.11 140.06 9.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.692 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -66.14 97.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.347 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 70.8 m-70 -121.08 113.6 20.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -67.71 -58.2 8.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.2 Cg_endo -69.68 -51.18 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.0 tp10 -49.58 -44.65 47.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 119' ' ' VAL . 64.5 tp -53.37 -58.44 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 96.7 m -49.38 -44.2 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -47.4 -61.8 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.534 ' HD2' HD12 ' A' ' 107' ' ' LEU . 33.9 mttp -61.41 -43.99 97.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.773 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 87.0 t -52.54 -43.84 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -66.34 -48.3 70.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -60.22 -59.11 5.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.497 ' C ' HD22 ' A' ' 40' ' ' LEU . 59.5 m-70 -63.43 -39.03 93.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 119' ' ' VAL . . . -34.11 -39.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.073 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 123' ' ' ALA . 84.8 p -36.55 110.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.5 p -55.06 -14.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -146.67 -157.61 7.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.59 8.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.671 2.248 . . . . 0.0 112.32 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.0 p -109.65 154.08 23.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.8 p -82.34 86.03 6.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -173.46 130.5 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -162.01 169.9 20.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 148.03 4.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -139.02 160.88 38.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -130.34 150.04 51.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.31 84.16 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.7 mtt -128.46 133.22 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.836 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -151.06 120.79 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.32 131.42 55.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.69 71.98 0.18 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.34 40.28 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.809 0.338 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.79 120.46 38.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -127.77 122.48 32.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.3 119.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -149.91 136.83 19.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 t -118.8 138.54 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' ' 65' ' ' LYS . . . -83.48 37.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.42 153.98 35.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -89.63 141.83 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -92.44 146.35 23.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -98.03 106.07 18.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.623 HG13 ' HB3' ' A' ' 28' ' ' GLN . 69.3 t -89.58 99.55 9.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.46 37.07 4.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 97.0 p -173.67 144.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -61.77 -38.92 89.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.77 -43.39 91.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.623 ' HB3' HG13 ' A' ' 23' ' ' VAL . 29.9 tt0 -59.54 -50.69 72.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.769 0.319 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.8 t80 -66.26 -63.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.643 ' HA ' HD12 ' A' ' 33' ' ' LEU . 36.2 mt-10 -46.2 -39.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -70.74 -55.73 7.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.443 HD23 HD11 ' A' ' 41' ' ' LEU . 5.1 tp -51.12 -35.52 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 30' ' ' GLU . 15.8 mt -46.45 -36.44 6.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 35' ' ' LEU . 9.2 ptp180 -80.81 -43.17 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 ' N ' ' CG ' ' A' ' 34' ' ' ARG . 58.5 mt -60.32 -57.1 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' HB2' HD13 ' A' ' 41' ' ' LEU . 54.3 mmtt -91.77 39.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.73 -58.95 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -45.17 -46.38 12.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.0 m -83.92 173.83 10.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.5 tp -86.36 133.42 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.963 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 36' ' ' LYS . 10.9 tp -109.19 141.37 41.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.6 t -128.17 105.81 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 29' ' ' PHE . 88.0 t -95.85 102.39 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -93.77 132.45 38.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.755 ' HB3' HG12 ' A' ' 92' ' ' VAL . 9.2 m-85 -92.29 122.26 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.533 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.4 p-90 -124.21 132.94 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.541 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -112.46 147.5 37.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 111.125 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.02 3.88 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.541 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 34.6 p-90 -119.79 -54.33 2.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -50.24 107.64 0.84 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.513 0.673 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.95 3.06 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -75.82 -54.31 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.5 p -42.71 -24.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.0 -70.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG3' ' SD ' ' A' ' 56' ' ' MET . 3.5 pt20 -67.28 -52.23 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 27.0 mmm -42.3 -40.26 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -62.73 -46.87 86.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.21 -43.09 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.11 -43.84 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 63' ' ' LEU . 80.3 mtp -58.21 -55.65 32.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.46 -50.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -64.83 -37.02 86.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 60' ' ' MET . 43.2 mt -66.2 -43.13 87.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.44 -53.67 21.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 8.8 ptpt -66.67 -45.28 79.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -53.21 -46.31 69.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.416 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 39.8 mt -112.73 94.12 27.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.711 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.7 -15.52 37.37 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.0 pm0 -98.42 27.26 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 72.0 t -129.94 151.93 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 68.8 m -117.99 108.69 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.441 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 80.8 m-85 -100.33 125.41 46.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.9 m -137.25 128.78 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -108.8 126.92 53.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.545 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.9 tt -121.1 141.97 50.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.533 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 10.2 tt0 -85.61 113.5 21.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.691 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -48.19 -46.59 35.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -74.09 -27.73 61.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.13 -48.0 34.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.527 ' HB ' HD11 ' A' ' 75' ' ' LEU . 82.0 t -116.47 85.59 16.61 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.134 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -27.47 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.719 2.28 . . . . 0.0 112.369 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 12.4 tt0 -53.38 -54.72 32.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.6 t -67.88 -46.62 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 54.7 m -53.42 -36.65 61.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -65.61 -56.27 13.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.43 ' HD3' ' CE2' ' A' ' 87' ' ' TYR . 20.5 tttm -45.57 -60.24 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.43 ' CE2' ' HD3' ' A' ' 86' ' ' LYS . 95.2 m-85 -77.73 -12.45 59.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 62.4 45.2 6.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.754 HD12 HG21 ' A' ' 94' ' ' THR . 26.3 mm -79.27 87.45 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.7 p -104.68 39.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 59.7 p -161.54 142.0 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.755 HG12 ' HB3' ' A' ' 45' ' ' PHE . 31.3 m -145.14 151.36 48.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.843 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.8 Cg_endo -69.75 165.1 77.47 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.379 -0.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.754 HG21 HD12 ' A' ' 89' ' ' ILE . 13.4 m -159.66 119.0 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -100.11 145.18 28.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 36.1 mt -132.0 105.07 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 98.3 m-85 -79.0 126.18 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -121.13 130.4 53.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -123.47 103.98 8.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.0 41.84 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m 66.98 31.55 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -148.41 118.84 7.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.03 117.53 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.1 pt -104.71 -32.89 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 104' ' ' ILE . 6.8 t70 -141.79 172.7 12.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 17.7 ttt180 -162.27 143.1 10.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.887 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.5 tt -127.45 118.11 23.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -100.74 137.92 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.21 143.88 11.1 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -68.13 102.02 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 97.7 m-70 -125.47 113.67 17.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.52 -59.04 6.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.603 0.716 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.77 -46.71 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.639 2.226 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 2.8 tp10 -54.84 -42.55 72.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 21.0 tp -58.21 -59.39 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.4 m -44.26 -43.29 7.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -52.68 -59.88 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.887 ' HD2' HD12 ' A' ' 107' ' ' LEU . 35.8 mttp -59.97 -44.0 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.4 t -55.12 -62.18 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -60.28 -45.47 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -53.6 -62.8 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 123' ' ' ALA . 72.4 m-70 -60.85 -45.76 93.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.444 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -33.82 -40.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 t -49.95 113.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.5 t -122.59 78.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 60.13 140.0 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 107.39 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.694 2.262 . . . . 0.0 112.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 34.6 m -96.49 86.13 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p -132.97 169.14 17.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 1' ' ' GLY . 81.0 p 36.69 42.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 110.906 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -114.66 173.17 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.87 -88.85 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m 59.48 42.08 18.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 m -94.96 147.67 23.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.13 139.01 10.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.7 ttm -54.58 -57.21 12.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.73 79.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.14 115.72 17.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.82 -58.83 0.9 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.81 119.24 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.74 157.44 8.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -51.28 120.56 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -121.23 94.97 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.47 118.52 35.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.7 t -98.21 118.75 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -106.69 54.3 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.56 153.75 36.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 HG11 ' HD3' ' A' ' 74' ' ' LYS . 98.2 t -74.98 124.82 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -87.25 127.71 35.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -79.22 115.2 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.81 HG13 ' HB3' ' A' ' 28' ' ' GLN . 87.3 t -101.84 90.36 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' C ' ' CG2' ' A' ' 80' ' ' VAL . . . -101.58 37.43 3.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.463 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.647 ' N ' HG21 ' A' ' 80' ' ' VAL . 42.0 p -173.52 139.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.42 -56.07 15.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.18 -45.86 8.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.81 ' HB3' HG13 ' A' ' 23' ' ' VAL . 31.8 tt0 -51.24 -54.78 22.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.586 ' HB2' HG11 ' A' ' 23' ' ' VAL . 40.0 t80 -66.02 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -44.37 -41.15 5.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.36 -55.0 20.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 41' ' ' LEU . 5.3 tp -53.09 -50.28 64.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.505 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.8 mt -34.35 -34.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.96 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' LEU . 73.1 mtt180 -79.25 -60.16 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -50.62 -50.5 54.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HB2' HD13 ' A' ' 41' ' ' LEU . 31.9 mmtp -88.95 40.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.35 19.7 4.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -122.05 -49.44 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -88.24 163.5 16.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 123' ' ' ALA . 19.8 tp -68.21 111.78 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.881 HD12 ' HB3' ' A' ' 71' ' ' SER . 8.2 tp -91.84 135.73 33.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -125.94 108.61 19.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 29' ' ' PHE . 87.8 t -97.92 109.9 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.449 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 8.4 t-80 -98.6 134.08 42.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' HE1' HD12 ' A' ' 96' ' ' LEU . 12.3 m-85 -93.06 115.52 28.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 33.9 p-90 -114.8 139.82 49.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -128.26 142.0 43.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.732 . . . . 0.0 111.107 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.4 36.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.496 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 51.4 p-90 -91.7 -34.86 14.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -82.23 112.27 34.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.707 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -8.68 24.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 54' ' ' ALA . 72.7 mt-30 -69.21 -53.64 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 p -38.8 -26.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -60.01 -69.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.747 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -52.11 -37.73 55.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.1 mmt -66.61 -40.02 88.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -56.12 -57.52 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 4.0 pt-20 -55.17 -31.79 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 55' ' ' GLN . 79.3 t -68.38 -40.15 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.449 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 82.3 mtp -61.02 -58.94 6.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.05 -60.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -47.79 -40.34 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.3 -35.45 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 -60.15 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.8 pttt -62.54 -48.65 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.9 -42.36 59.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.561 HD21 HE21 ' A' ' 120' ' ' GLN . 17.2 mt -114.35 90.72 21.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.599 0.714 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -21.69 33.29 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -89.52 21.12 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 71' ' ' SER . 69.8 t -130.45 154.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.881 ' HB3' HD12 ' A' ' 41' ' ' LEU . 10.4 t -120.15 116.83 26.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -102.58 114.4 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' CG2' HG22 ' A' ' 43' ' ' VAL . 28.7 m -128.53 123.6 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HD3' HG11 ' A' ' 20' ' ' VAL . 50.9 pttt -99.79 130.67 46.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 75' ' ' LEU . 8.8 tt -112.69 139.29 48.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 79' ' ' GLY . 58.1 tt0 -82.92 103.35 12.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.03 -39.14 59.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -96.74 22.05 8.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.435 ' N ' ' HG2' ' A' ' 76' ' ' GLU . . . -123.94 -36.0 0.65 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.647 HG21 ' N ' ' A' ' 25' ' ' SER . 60.8 t -129.04 77.76 77.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.623 0.725 . . . . 0.0 111.138 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -6.9 19.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -69.18 -32.29 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.8 t -95.02 -39.45 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 72.1 m -56.75 -32.07 65.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 86' ' ' LYS . 16.6 pt-20 -68.48 -47.85 66.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 85' ' ' GLU . 39.5 tttp -52.82 -57.53 9.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -81.83 -11.43 58.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 62.25 44.64 7.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.576 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 28.7 mm -81.19 85.83 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 87.9 p -107.46 38.97 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -156.6 138.48 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.543 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 17.0 m -145.28 150.45 44.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.78 160.71 87.63 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.331 -0.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 40.1 m -161.19 118.12 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD2' HD11 ' A' ' 115' ' ' LEU . 27.4 m-85 -97.2 152.1 19.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.599 HD12 ' HE1' ' A' ' 45' ' ' PHE . 25.5 mt -135.08 105.5 6.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -82.75 119.23 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 83.4 m-85 -115.44 137.24 52.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -125.54 93.96 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 70.8 49.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.505 ' HA ' HD22 ' A' ' 33' ' ' LEU . 24.4 m 62.72 36.53 13.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -150.95 112.59 4.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -59.05 116.27 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.5 pt -105.73 -34.19 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.457 ' N ' HG13 ' A' ' 104' ' ' ILE . 21.5 t70 -141.69 171.77 13.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 18.6 ttt180 -163.11 148.83 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.5 tt -133.81 122.21 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.504 ' N ' HD23 ' A' ' 107' ' ' LEU . 7.8 p30 -109.11 135.52 50.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 102.55 166.01 26.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.461 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.58 88.38 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 82.0 m-70 -115.81 113.76 23.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.726 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.55 -57.9 6.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.726 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.73 -50.95 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.3 OUTLIER -48.64 -46.07 39.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.947 ' O ' HG23 ' A' ' 119' ' ' VAL . 35.2 tp -54.47 -55.0 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.5 m -58.17 -49.99 75.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -48.61 -54.19 15.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.531 ' HD2' HD12 ' A' ' 107' ' ' LEU . 34.9 mttm -61.71 -47.75 83.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 115' ' ' LEU . 59.2 t -52.16 -53.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.561 HE21 HD21 ' A' ' 67' ' ' LEU . 31.2 mt-30 -66.99 -39.55 87.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -49.31 -61.22 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 83.5 m-70 -67.62 -51.3 51.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.564 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -47.74 -38.95 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 14.2 t -82.83 -54.79 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.0 m -144.63 129.23 18.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -52.49 -171.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.537 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.9 Cg_endo -69.77 1.21 4.65 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 127' ' ' PRO . 10.0 p -35.89 138.22 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.9 m -107.88 102.61 11.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -92.74 83.74 4.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 110.85 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -173.54 141.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.31 161.95 14.44 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -142.09 169.87 16.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -157.55 120.67 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.95 -164.03 15.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -126.68 168.77 13.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.55 128.43 42.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.069 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.5 99.92 11.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.54 -69.22 1.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 47.27 38.76 7.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.59 117.94 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -46.93 117.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.15 126.8 31.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.01 158.69 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.9 t -93.21 139.62 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -91.91 39.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.02 147.85 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 72' ' ' PHE . 7.5 p -77.15 130.99 35.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -95.7 156.75 16.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -108.21 140.26 41.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.88 117.58 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.6 21.7 10.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.7 p -163.39 138.78 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.915 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -59.71 -33.78 72.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.05 -40.09 96.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.41 -52.31 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.354 . . . . 0.0 110.922 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -54.38 -61.81 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 33' ' ' LEU . 43.8 mt-10 -50.22 -37.32 34.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.12 -56.91 9.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' LEU . 7.8 tp -50.97 -44.66 60.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 19.1 mt -35.21 -40.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -77.02 -41.71 41.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' LEU . 36.2 mt -63.98 -55.85 19.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -95.52 39.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -74.93 -46.89 32.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.059 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.9 p -80.31 174.76 11.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.499 HD13 ' HE2' ' A' ' 99' ' ' LYS . 57.6 tp -92.03 119.07 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 71' ' ' SER . 13.1 tp -98.45 147.95 24.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.97 107.75 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.6 t -97.81 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.15 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 t-80 -95.5 128.8 42.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.737 ' HB3' HG12 ' A' ' 92' ' ' VAL . 17.7 m-85 -89.62 112.28 23.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.7 p-90 -120.6 137.22 54.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.542 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -130.66 142.57 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.5 14.14 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.673 2.248 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.542 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 48.0 p-90 -107.94 6.95 27.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -123.12 123.17 26.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.449 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 54.3 Cg_endo -69.75 -36.36 10.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -58.95 -48.15 82.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.4 m -52.99 -16.07 0.95 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 51' ' ' PRO . . . -64.04 -64.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.2 pt20 -62.34 -41.37 98.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 11.2 mmt -51.59 -45.87 63.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -59.1 -45.28 91.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 29.2 mt-10 -65.17 -48.16 74.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' GLN . 69.5 t -48.9 -49.14 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.7 mtm -59.18 -41.43 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 58' ' ' GLU . . . -43.84 -50.06 8.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.29 -47.26 71.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.0 mt -53.04 -43.14 66.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.55 -37.68 68.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.802 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 29.2 mttm -72.48 -42.72 64.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -65.35 -42.24 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.04 95.8 43.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.611 0.719 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -43.85 2.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -26.48 59.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.4 t -85.02 125.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.1 m -99.3 101.27 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.829 ' O ' HG23 ' A' ' 20' ' ' VAL . 73.9 m-85 -85.84 115.02 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 73' ' ' VAL . 27.1 m -117.3 124.33 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -106.03 123.99 48.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 80' ' ' VAL . 2.8 tt -121.66 144.28 48.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -91.25 113.22 25.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.35 -51.83 6.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.13 -27.62 64.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.37 -44.84 57.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.631 ' HB ' HD11 ' A' ' 75' ' ' LEU . 45.2 t -127.42 83.91 64.78 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.642 0.734 . . . . 0.0 111.173 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -23.98 30.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 11.3 tp10 -50.93 -54.21 26.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.2 t -71.77 -48.37 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.0 m -47.98 -40.0 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.93 -54.96 30.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -42.49 -62.38 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -78.26 -13.91 59.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 84' ' ' SER . 29.8 mt-10 65.95 43.8 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.604 HD11 HD11 ' A' ' 96' ' ' LEU . 31.3 mm -77.99 84.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -103.87 39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -160.08 140.63 11.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.737 HG12 ' HB3' ' A' ' 45' ' ' PHE . 23.1 m -144.99 151.61 49.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.663 0.744 . . . . 0.0 111.061 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.3 Cg_endo -69.78 165.04 77.74 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.721 -1.783 . . . . 0.0 112.286 -0.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 HD12 ' A' ' 89' ' ' ILE . 58.6 m -160.85 120.12 2.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -102.32 143.19 32.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.604 HD11 HD11 ' A' ' 89' ' ' ILE . 27.4 mt -133.48 111.09 10.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -80.12 127.03 31.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -124.44 118.08 25.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HE2' HD13 ' A' ' 40' ' ' LEU . 18.7 mmtt -118.22 119.34 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.488 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 28.0 t30 59.55 32.22 21.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.415 ' O ' ' CG ' ' A' ' 102' ' ' GLN . 9.9 t 69.32 45.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' CG ' ' O ' ' A' ' 101' ' ' SER . 17.2 mt-30 -161.07 112.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.491 ' HD2' HD22 ' A' ' 96' ' ' LEU . 37.3 ttpt -55.05 131.59 45.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 105' ' ' ASP . 9.2 pt -127.47 -28.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.468 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.8 t70 -137.95 165.06 27.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.2 ttt180 -160.15 139.8 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 2.0 tt -123.76 120.11 31.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.433 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.8 m-20 -111.22 129.57 55.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.433 ' O ' ' CD2' ' A' ' 111' ' ' HIS . . . 103.55 127.0 5.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.9 102.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 92.4 m-70 -130.02 113.75 14.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.65 -58.39 5.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.567 0.699 . . . . 0.0 111.08 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 54.0 Cg_endo -69.81 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.633 2.222 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.479 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 6.3 tp10 -48.9 -46.39 42.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 119' ' ' VAL . 47.1 tp -53.4 -57.02 12.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.409 HG22 ' CD ' ' A' ' 120' ' ' GLN . 66.1 m -50.45 -57.03 8.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -42.06 -61.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.76 -53.44 55.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 115' ' ' LEU . 90.0 t -46.57 -52.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.409 ' CD ' HG22 ' A' ' 116' ' ' THR . 58.7 mt-30 -63.38 -52.54 61.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -41.21 -51.11 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.447 ' N ' ' HD3' ' A' ' 121' ' ' ARG . 89.2 m-70 -74.87 -49.28 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.452 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -41.07 -42.68 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.056 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 123' ' ' ALA . 29.2 t -34.64 102.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.0 p -84.44 172.68 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -114.92 -168.51 15.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 1.27 4.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.342 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.9 p 49.37 47.0 22.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.7 p -72.54 -175.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.6 p -91.81 176.19 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -118.64 176.28 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.36 154.2 25.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 m -146.9 149.21 32.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.861 0.362 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 m -159.25 111.75 2.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.26 99.54 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.455 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -147.88 111.89 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.0 118.36 36.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.4 -49.4 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 129.79 47.62 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.93 101.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.748 0.309 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.55 108.49 19.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' OE2' ' HB2' ' A' ' 16' ' ' ALA . 1.4 pp20? -69.57 150.09 47.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' GLU . . . -36.91 108.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.461 ' HB2' ' OE2' ' A' ' 14' ' ' GLU . . . -138.72 120.2 14.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 19' ' ' ALA . 92.6 t -86.42 125.92 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.17 46.51 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -124.55 150.44 45.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.9 t -82.88 128.26 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.34 142.35 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -99.65 109.46 21.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.752 HG11 ' HB2' ' A' ' 29' ' ' PHE . 87.1 t -97.7 108.94 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.68 34.79 5.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.491 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 84.3 p -171.34 146.77 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.832 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.55 -43.94 95.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.587 ' HB3' HG13 ' A' ' 23' ' ' VAL . 14.7 tt0 -63.24 -51.54 65.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.752 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.3 t80 -58.34 -62.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -48.11 -38.72 18.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -64.66 -57.16 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.651 HD23 HD11 ' A' ' 41' ' ' LEU . 2.5 tp -45.43 -47.92 13.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD23 HD22 ' A' ' 41' ' ' LEU . 14.9 mt -42.15 -35.38 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.2 mmm-85 -68.39 -56.39 8.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' N ' HD22 ' A' ' 35' ' ' LEU . 3.8 mm? -59.44 -51.14 71.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' HB2' HD13 ' A' ' 41' ' ' LEU . 48.4 mmtt -89.2 36.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.11 -42.15 69.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -76.68 -27.19 55.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.7 m -91.51 148.21 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 123' ' ' ALA . 37.7 tp -67.66 117.01 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.651 HD11 HD23 ' A' ' 32' ' ' LEU . 7.6 tp -98.34 144.18 28.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.7 t -136.93 105.43 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.581 HG21 ' CE1' ' A' ' 29' ' ' PHE . 94.2 t -90.94 111.57 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -97.64 128.41 44.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' CG ' HG21 ' A' ' 89' ' ' ILE . 24.5 m-85 -91.58 110.05 21.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -111.33 142.51 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -124.35 143.92 44.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.491 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 13.6 p-90 -110.66 -60.9 1.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -44.6 107.68 0.65 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 1.93 3.96 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -82.69 -49.16 10.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.919 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.8 p -47.93 -19.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.05 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.719 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.4 pt20 -58.74 -42.71 89.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.904 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.9 mmt -54.97 -29.31 56.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -71.87 -63.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -49.8 -39.45 38.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 55' ' ' GLN . 92.7 t -59.63 -40.02 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.455 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.3 mtp -59.02 -62.18 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -37.75 -51.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -56.1 -39.67 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 60' ' ' MET . 77.3 mt -69.72 -42.78 73.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' ' 72' ' ' PHE . . . -41.08 -61.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -65.64 -44.42 86.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -51.39 -36.11 41.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.412 ' CD1' HG12 ' A' ' 119' ' ' VAL . 16.6 mt -125.41 92.85 46.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.65 0.738 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.4 Cg_endo -69.8 -15.48 36.97 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.317 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -95.37 20.19 9.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 71' ' ' SER . 95.7 t -126.15 156.4 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.493 ' HB2' HD12 ' A' ' 41' ' ' LEU . 50.6 m -122.42 111.35 16.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 64' ' ' ALA . 96.7 m-85 -100.91 122.44 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.461 HG11 ' CD2' ' A' ' 32' ' ' LEU . 35.3 m -135.05 125.1 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.13 134.41 44.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.598 ' C ' HD23 ' A' ' 75' ' ' LEU . 6.2 tt -123.54 132.91 54.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 79' ' ' GLY . 31.9 tt0 -80.09 107.75 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.58 -42.5 7.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.68 -19.81 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -77.55 -55.39 4.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.491 ' CG2' ' N ' ' A' ' 25' ' ' SER . 69.6 t -114.01 82.04 6.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.587 0.708 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.02 28.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -51.6 -54.16 30.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.7 t -68.23 -45.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.176 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 88' ' ' GLU . 3.0 m -44.89 -43.17 8.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -59.81 -59.93 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 7.2 tmtm? -39.07 -61.39 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.501 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 95.1 m-85 -79.59 -12.65 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 84' ' ' SER . 33.1 mt-10 63.9 41.52 6.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.79 HD12 HG21 ' A' ' 94' ' ' THR . 38.6 mm -81.77 85.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -109.39 39.47 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.57 151.31 18.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 30.9 m -145.79 151.51 46.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.636 0.732 . . . . 0.0 111.142 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.4 Cg_endo -69.76 165.16 77.36 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.33 -0.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.79 HG21 HD12 ' A' ' 89' ' ' ILE . 61.3 m -160.83 122.18 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.484 ' CD2' HD11 ' A' ' 115' ' ' LEU . 30.8 m-85 -109.88 149.97 29.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.43 HD11 HD11 ' A' ' 89' ' ' ILE . 28.0 mt -137.53 106.24 5.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -80.41 126.27 30.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -122.09 124.65 44.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -119.29 102.29 8.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.0 t30 72.93 32.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 t 74.34 34.37 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -148.39 121.84 9.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -64.28 128.94 37.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 29.7 pt -124.65 -24.11 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.142 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -146.42 168.24 21.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 12.2 ttt180 -162.89 145.86 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.681 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.9 tt -130.54 113.21 13.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.78 117.64 34.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.437 ' C ' ' HG2' ' A' ' 93' ' ' PRO . . . 123.08 151.91 8.4 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -76.73 84.33 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.077 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.469 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.7 m-70 -116.19 113.56 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -66.81 -59.16 8.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.586 0.708 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.83 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 13.9 tp10 -46.67 -39.08 10.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 119' ' ' VAL . 31.2 tp -65.47 -57.27 8.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.9 m -47.99 -56.4 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -44.29 -57.26 3.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.681 ' HD2' HD12 ' A' ' 107' ' ' LEU . 50.2 mttm -56.78 -48.6 77.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 115' ' ' LEU . 64.1 t -53.7 -46.62 62.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -66.57 -51.54 55.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 31.5 ttt85 -47.01 -58.55 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 123' ' ' ALA . 79.1 m-70 -66.5 -44.38 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 119' ' ' VAL . . . -37.22 -40.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.059 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.6 m -42.83 104.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 p -99.55 113.4 25.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.68 -98.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 90.66 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.39 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.2 p -112.31 146.49 38.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 4.1 m -73.68 -46.84 43.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t 50.6 42.31 26.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -127.79 165.83 19.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.4 122.55 1.03 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -109.85 135.16 51.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.897 0.379 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -150.56 119.42 6.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.14 106.91 0.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.2 ttm -160.33 107.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.16 125.6 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.88 148.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.64 92.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.11 112.61 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.45 135.69 43.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -111.29 112.03 23.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.59 86.23 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.25 119.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.1 t -103.64 135.3 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.652 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -96.05 36.61 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -122.65 152.2 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.5 t -74.87 141.57 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' HB2' HG12 ' A' ' 73' ' ' VAL . 4.7 mm-40 -96.7 135.11 39.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -94.34 126.73 39.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 28' ' ' GLN . 9.5 t -92.73 129.59 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.16 -21.11 18.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.4 p -166.41 164.01 17.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.11 -25.22 1.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.87 -51.89 56.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.903 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -60.67 -47.27 87.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.921 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE1' HG21 ' A' ' 43' ' ' VAL . 37.5 t80 -66.34 -64.87 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -46.55 -25.65 0.73 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.02 -48.66 9.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.667 HD23 HD11 ' A' ' 41' ' ' LEU . 1.5 tp -61.37 -16.7 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 33' ' ' LEU . 13.7 mt -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -80.89 -39.79 25.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.38 -52.38 65.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HB2' HD13 ' A' ' 41' ' ' LEU . 40.1 mmtt -96.11 26.45 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.61 -51.46 69.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -42.87 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -78.36 158.83 28.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 123' ' ' ALA . 26.5 tp -79.1 115.55 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.667 HD11 HD23 ' A' ' 32' ' ' LEU . 9.3 tp -95.85 141.27 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.5 t -132.14 104.22 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 29' ' ' PHE . 24.7 t -85.98 128.06 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 3.6 t-80 -118.85 126.08 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' HB3' HG12 ' A' ' 92' ' ' VAL . 33.7 m-85 -89.72 116.68 28.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.413 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 35.3 p-90 -124.44 139.88 53.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.624 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -123.12 143.03 39.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.558 0.694 . . . . 0.0 111.129 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -6.21 18.03 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.375 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.624 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 46.4 p-90 -105.87 -40.63 5.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.99 114.98 33.72 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.586 0.708 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -6.39 18.47 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.61 -61.52 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.7 p -38.15 -33.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.19 -70.44 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' O ' ' NE2' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -53.31 -31.6 44.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.444 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 47.0 mmm -72.29 -34.31 68.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -59.76 -46.89 87.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.12 -57.19 13.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.5 t -44.37 -47.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 63' ' ' LEU . 42.0 mtp -49.83 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -35.1 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.47 -45.62 66.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' MET . 33.5 mt -64.85 -44.87 88.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.03 -54.9 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.153 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.652 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -67.83 -42.2 81.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.82 -21.96 66.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 63' ' ' LEU . 25.1 mt -132.61 88.97 37.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.552 0.692 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.39 7.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.633 2.222 . . . . 0.0 112.392 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.419 ' H ' ' NE2' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -67.08 -5.85 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 72' ' ' PHE . 83.9 t -104.64 145.48 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.0 m -114.62 106.53 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.471 ' CE1' ' CG1' ' A' ' 70' ' ' VAL . 60.8 m-85 -94.37 131.78 39.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.592 HG11 ' CD2' ' A' ' 32' ' ' LEU . 23.9 m -141.38 131.86 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.101 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.51 153.64 20.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.9 tt -143.08 130.77 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -84.69 108.02 17.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.64 -40.32 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.95 -18.9 52.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.3 -60.58 1.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.45 81.85 1.15 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.609 0.719 . . . . 0.0 111.135 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -25.48 28.45 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -51.29 -42.68 61.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 68.9 t -78.79 -54.93 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 88' ' ' GLU . 18.7 m -44.96 -43.41 9.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 7.8 mt-10 -55.85 -59.69 4.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -36.87 -63.34 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 98' ' ' PHE . 59.6 m-85 -78.48 -10.17 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' GLU . 21.8 mt-10 62.28 42.9 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.877 HD11 HD11 ' A' ' 96' ' ' LEU . 4.9 mm -77.47 84.51 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -102.83 40.28 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 m -157.76 136.89 11.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 45' ' ' PHE . 6.0 m -144.95 153.36 53.61 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.819 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.6 Cg_endo -69.75 160.53 87.85 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.354 -0.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.3 m -159.85 133.46 7.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -110.94 155.46 22.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.877 HD11 HD11 ' A' ' 89' ' ' ILE . 30.6 mt -146.57 107.45 4.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -81.11 123.5 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.434 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 72.3 m-85 -116.06 111.68 20.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' HD13 ' A' ' 104' ' ' ILE . 1.9 tptm -107.0 110.94 23.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.08 40.56 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 70.3 m 63.38 36.31 11.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -150.09 114.35 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -56.82 124.49 18.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.422 HD13 ' HB2' ' A' ' 99' ' ' LYS . 49.3 pt -117.82 -29.87 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.436 ' OD2' ' NE2' ' A' ' 122' ' ' HIS . 13.1 t0 -149.44 155.87 41.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.26 141.9 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.556 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.3 tt -115.44 127.59 55.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.414 ' N ' HD23 ' A' ' 107' ' ' LEU . 41.9 t0 -108.8 134.65 51.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 89.23 143.09 9.42 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.819 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -66.31 107.72 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.457 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 94.8 m-70 -134.06 119.87 19.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.31 -60.02 5.42 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.563 0.697 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 7.0 tt0 -46.63 -36.17 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.714 ' O ' HG23 ' A' ' 119' ' ' VAL . 44.1 tp -67.89 -58.33 4.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 93.2 m -48.27 -46.06 35.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -53.1 -58.84 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.592 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 50.4 mttm -57.12 -37.8 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 115' ' ' LEU . 58.0 t -63.01 -50.49 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.62 -49.14 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -47.77 -57.28 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.5 m-70 -69.49 -47.98 62.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.43 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -39.41 -45.2 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 6.0 p -160.79 153.69 21.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.5 t -102.67 163.14 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -77.82 -157.0 8.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 112.79 3.17 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.8 t -61.04 137.11 58.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.2 t -134.51 97.4 3.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -108.45 125.1 51.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -121.81 123.16 41.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.26 160.08 28.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -160.8 157.79 27.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.851 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -127.69 146.81 50.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -148.37 -60.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.8 ptm 35.92 42.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.723 0.297 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.36 41.85 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.25 90.34 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.98 133.15 2.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 131.98 54.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.9 113.34 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.42 141.18 55.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.23 103.51 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.06 142.43 43.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.7 t -98.44 132.15 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' HB1' ' N ' ' A' ' 65' ' ' LYS . . . -120.55 49.69 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.01 153.93 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -80.46 135.1 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -87.64 150.04 23.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -105.22 113.0 26.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.758 HG11 ' HB2' ' A' ' 29' ' ' PHE . 61.7 t -99.66 111.47 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.51 36.52 3.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.1 p -174.19 141.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.86 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.84 -45.33 61.16 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -58.53 -53.62 56.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.928 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.758 ' HB2' HG11 ' A' ' 23' ' ' VAL . 43.8 t80 -62.2 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.755 ' HA ' HD12 ' A' ' 33' ' ' LEU . 11.4 mm-40 -50.29 -36.96 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 32' ' ' LEU . 4.1 tm-20 -67.94 -50.47 55.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 6.7 tp -56.95 -45.0 83.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.755 HD12 ' HA ' ' A' ' 30' ' ' GLU . 7.4 mt -36.32 -44.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -61.62 2.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.51 -50.9 51.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' CB ' HD13 ' A' ' 41' ' ' LEU . 54.8 mmtt -90.1 40.87 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.77 -49.48 12.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -62.72 -47.77 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -73.51 170.6 14.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD23 ' HB2' ' A' ' 123' ' ' ALA . 24.9 tp -89.59 114.85 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 36' ' ' LYS . 12.5 tp -92.03 144.83 25.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -135.72 107.35 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 29' ' ' PHE . 91.2 t -91.32 137.09 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -123.98 126.37 46.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.656 ' HB3' HG12 ' A' ' 92' ' ' VAL . 21.0 m-85 -90.42 111.85 23.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 76' ' ' GLU . 34.2 p-90 -114.74 134.66 54.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -114.74 141.62 27.05 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 111.068 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 2.96 3.08 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.555 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 18.1 p-90 -120.17 -43.99 2.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.41 111.43 6.09 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -0.8 7.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CB ' ' HD3' ' A' ' 93' ' ' PRO . 0.6 OUTLIER -80.28 -44.06 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 29.3 p -52.63 -19.68 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -69.44 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -52.64 -38.57 60.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 4.7 mmt -64.44 -46.84 81.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 53' ' ' CYS . 18.6 m-20 -54.32 -42.48 70.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.57 -48.72 80.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.1 -46.91 66.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 63' ' ' LEU . 78.8 mtp -49.14 -60.75 2.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.48 -49.97 5.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -56.84 -32.11 65.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 60' ' ' MET . 59.8 mt -79.7 -42.69 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.75 -63.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.116 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.508 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 22.0 pttp -62.68 -43.15 99.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -52.25 -38.32 57.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD11 ' NE2' ' A' ' 120' ' ' GLN . 16.5 mt -126.45 91.46 47.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.562 0.696 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -15.14 36.82 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -90.08 17.56 6.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 71' ' ' SER . 90.4 t -128.99 156.18 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 70' ' ' VAL . 2.1 m -122.0 109.18 14.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -95.99 112.69 24.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.5 m -122.51 127.42 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttt -106.07 135.19 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.2 tt -129.32 136.06 49.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 46' ' ' TRP . 28.5 tt0 -83.7 114.28 21.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.71 -53.21 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -69.4 -20.01 63.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.08 -45.24 10.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 75' ' ' LEU . 52.8 t -120.02 82.59 29.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.614 0.721 . . . . 0.0 111.146 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -27.04 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -55.69 -51.02 68.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.4 t -71.95 -53.22 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLU . 15.9 m -45.9 -39.48 8.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -62.17 -56.62 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -45.15 -58.99 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -78.11 -13.15 59.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' SER . 46.0 mt-10 62.38 41.58 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 26.9 mm -77.82 83.69 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.2 t -103.99 39.28 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -158.24 139.09 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.656 HG12 ' HB3' ' A' ' 45' ' ' PHE . 30.9 m -144.92 151.36 48.96 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.74 161.42 86.17 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.362 -0.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.427 HG21 HD12 ' A' ' 89' ' ' ILE . 16.8 m -160.94 117.6 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.33 151.08 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.562 HD12 ' HE1' ' A' ' 45' ' ' PHE . 18.6 mt -137.84 107.04 6.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.556 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 58.7 m-85 -78.99 124.97 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 93.0 m-85 -122.89 118.99 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 104' ' ' ILE . 5.9 mmtp -116.28 116.57 28.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 56.93 41.98 27.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.424 ' HA ' HD22 ' A' ' 33' ' ' LEU . 49.5 m 63.74 37.99 9.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' HG3' ' C ' ' A' ' 101' ' ' SER . 73.8 mt-30 -152.27 107.5 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -56.59 121.43 9.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 20.2 pt -113.6 -26.19 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.162 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.556 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 30.9 t70 -140.4 168.01 20.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -163.06 139.06 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.717 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.0 tt -126.7 127.02 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.467 ' N ' HD23 ' A' ' 107' ' ' LEU . 2.6 p30 -115.9 135.42 54.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.3 141.96 12.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.434 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -62.33 94.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 98.3 m-70 -122.52 111.26 16.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.819 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.7 -59.09 4.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.567 0.699 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.74 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -48.72 -45.06 38.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 119' ' ' VAL . 44.4 tp -54.92 -57.99 9.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 117' ' ' LYS . 42.3 m -46.38 -63.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 116' ' ' THR . 41.6 mttp -35.99 -62.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.717 ' HD2' HD12 ' A' ' 107' ' ' LEU . 40.1 mttm -55.25 -51.95 64.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.5 t -49.31 -64.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.402 ' NE2' HD11 ' A' ' 67' ' ' LEU . 29.9 mm-40 -55.37 -51.98 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -46.06 -54.04 9.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 62.6 m-70 -71.55 -24.46 61.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.429 ' HB2' HD23 ' A' ' 40' ' ' LEU . . . -87.43 21.99 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.5 t -107.85 43.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.2 t -109.74 148.58 31.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 62.56 -111.75 4.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 152.5 69.23 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.2 p -128.63 110.59 12.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.1 p -165.41 114.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -94.85 87.35 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.38 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -157.79 134.1 9.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.56 137.14 35.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -82.6 161.11 22.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.893 0.378 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -110.03 96.09 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.08 96.91 1.8 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.1 tpt -121.9 105.0 9.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.97 41.51 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.33 92.35 3.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.51 44.65 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.83 92.68 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' C ' ' CD ' ' A' ' 14' ' ' GLU . . . -170.74 137.97 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' CD ' ' C ' ' A' ' 13' ' ' ALA . 15.4 mp0 -151.13 153.82 35.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.97 125.47 29.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.0 108.82 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.785 HG12 ' H ' ' A' ' 19' ' ' ALA . 84.3 t -104.19 133.73 47.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.877 ' HB1' ' HB3' ' A' ' 65' ' ' LYS . . . -101.11 31.5 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.063 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.785 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -123.83 152.17 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 72' ' ' PHE . 44.9 t -81.91 127.4 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' HG12 ' A' ' 73' ' ' VAL . 51.5 mt-10 -77.99 140.29 39.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -98.74 119.91 38.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 75' ' ' LEU . 43.1 t -76.28 119.17 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.25 -32.71 16.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.455 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.7 p -160.53 170.85 20.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -50.15 -58.83 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.19 -46.76 1.94 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.549 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -59.49 -46.81 87.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.635 ' CE1' HG21 ' A' ' 43' ' ' VAL . 34.2 t80 -70.61 -60.79 2.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' HA ' HD12 ' A' ' 33' ' ' LEU . 74.6 mt-10 -47.18 -40.18 15.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -66.63 -54.99 17.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 33' ' ' LEU . 2.0 tp -52.85 -47.13 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 30' ' ' GLU . 10.3 mt -34.45 -42.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 30' ' ' GLU . 5.7 mpt_? -74.16 -56.73 4.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mt -47.72 -56.94 6.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' HB2' HD13 ' A' ' 41' ' ' LEU . 70.9 mmtt -89.59 40.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.75 -45.71 16.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -60.56 -22.94 64.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.5 m -110.5 159.82 17.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.6 HD22 ' C ' ' A' ' 122' ' ' HIS . 18.7 tp -70.81 131.29 43.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.703 HD12 ' HB2' ' A' ' 71' ' ' SER . 12.3 tp -107.09 152.49 23.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.9 t -140.82 107.07 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.635 HG21 ' CE1' ' A' ' 29' ' ' PHE . 69.8 t -97.97 98.3 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 4.4 t-160 -90.55 113.89 25.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.773 ' HB3' HG12 ' A' ' 92' ' ' VAL . 11.8 m-85 -72.42 103.46 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.459 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 31.9 p-90 -98.58 133.48 42.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.774 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -115.2 146.19 35.82 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -31.54 20.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.683 2.256 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -89.62 -46.95 8.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . . . -55.63 108.66 1.25 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 0.0 111.114 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -19.75 35.95 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.32 -42.26 69.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 t -46.69 -22.9 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.54 -67.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.0 OUTLIER -71.24 -43.86 66.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.404 ' HE1' ' HA ' ' A' ' 112' ' ' ALA . 36.1 mmt -56.16 -17.23 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -82.52 -52.57 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.416 ' OE1' ' C ' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -66.9 -35.08 79.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' GLN . 50.2 t -58.75 -39.32 76.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 mtm -70.76 -45.35 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -50.27 -55.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HA ' ' HZ2' ' A' ' 65' ' ' LYS . 17.3 mm-40 -53.23 -38.51 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.644 HD21 HG23 ' A' ' 116' ' ' THR . 56.5 mt -74.27 -34.3 63.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -58.23 -52.28 66.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.877 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 6.0 pttm -71.02 -36.2 72.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.66 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.5 mt -116.42 94.04 41.67 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -17.84 37.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.5 pm0 -88.79 13.02 13.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 71' ' ' SER . 68.4 t -122.97 156.42 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.703 ' HB2' HD12 ' A' ' 41' ' ' LEU . 27.7 m -123.95 111.17 15.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 93.7 m-85 -100.67 111.96 24.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.654 HG12 ' HB2' ' A' ' 21' ' ' GLU . 17.6 m -123.03 122.13 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.89 124.24 42.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.482 HD12 HG11 ' A' ' 23' ' ' VAL . 1.3 tt -117.08 142.95 46.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 20.9 tt0 -85.68 116.4 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -58.38 -33.25 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -91.92 -21.83 20.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.8 -49.89 5.86 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.0 t -113.71 81.16 5.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.6 0.714 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -28.26 25.33 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -46.72 -44.95 19.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.2 t -80.73 -48.34 19.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 88' ' ' GLU . 25.0 m -47.11 -41.27 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.6 -57.29 11.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -43.82 -58.33 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -80.18 -13.52 59.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 84' ' ' SER . 28.5 mt-10 63.28 47.71 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 45' ' ' PHE . 23.3 mm -84.52 89.31 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.9 t -105.11 39.72 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -160.54 136.87 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.774 HG21 ' HB2' ' A' ' 47' ' ' ALA . 31.0 m -143.86 151.25 52.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.735 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.2 Cg_endo -69.79 164.61 78.85 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.362 -0.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 HD12 ' A' ' 89' ' ' ILE . 21.2 m -160.58 115.77 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.54 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 31.7 m-85 -95.03 139.46 31.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 35.2 mt -126.02 112.98 16.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.517 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 63.6 m-85 -84.17 117.68 23.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 96' ' ' LEU . 64.5 m-85 -121.22 112.48 18.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.527 ' HE3' HD13 ' A' ' 40' ' ' LEU . 18.0 mttt -114.75 111.29 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 71.56 39.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 p 61.56 36.11 17.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -150.46 116.9 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -59.67 125.6 24.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 105' ' ' ASP . 25.3 pt -118.14 -28.39 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.517 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 25.7 t70 -142.82 167.98 20.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.814 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -162.0 134.83 5.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.521 HD12 ' HD2' ' A' ' 118' ' ' LYS . 2.4 tt -118.73 114.74 23.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.79 128.45 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.74 135.66 9.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.07 109.14 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 95.6 m-70 -135.85 117.0 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.78 -60.11 4.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.4 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 5.5 tp10 -49.78 -37.21 28.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 119' ' ' VAL . 32.1 tp -66.24 -61.77 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.644 HG23 HD21 ' A' ' 63' ' ' LEU . 46.7 m -43.99 -57.47 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -43.66 -62.26 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.521 ' HD2' HD12 ' A' ' 107' ' ' LEU . 40.3 mttm -53.5 -42.07 66.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 115' ' ' LEU . 84.3 t -58.49 -61.13 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -52.16 -52.49 51.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -52.85 -62.6 1.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.6 ' C ' HD22 ' A' ' 40' ' ' LEU . 72.4 m-70 -64.12 -13.4 47.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -93.12 22.82 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.9 t -117.83 74.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.9 t -146.65 162.9 37.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 86.13 98.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.8 Cg_endo -69.79 2.63 3.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 127' ' ' PRO . 22.0 m -35.26 -56.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.0 p -72.66 134.86 45.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -55.71 111.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.916 0.388 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -163.94 137.49 5.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.26 111.89 0.28 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 m -135.36 128.34 31.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.842 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.9 p -146.49 163.91 34.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.45 128.06 12.79 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.96 131.89 26.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.324 . . . . 0.0 110.824 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.16 112.93 15.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.06 127.12 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.47 -107.77 2.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.05 84.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.22 81.01 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -129.76 112.12 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.7 127.93 12.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.9 105.81 17.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 63.4 t -119.83 121.82 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' O ' ' HB1' ' A' ' 64' ' ' ALA . . . -120.38 39.19 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.067 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.21 152.64 38.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.462 HG11 ' HD2' ' A' ' 74' ' ' LYS . 80.5 t -76.41 113.27 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -80.43 142.58 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -93.49 104.97 17.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG11 ' HB2' ' A' ' 29' ' ' PHE . 66.3 t -94.08 107.5 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -114.63 39.24 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.8 p -172.96 136.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.77 -37.25 65.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -59.01 -47.94 88.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.611 ' HB3' HG13 ' A' ' 23' ' ' VAL . 60.7 tt0 -57.18 -49.25 76.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.849 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.668 ' HB2' HG11 ' A' ' 23' ' ' VAL . 16.7 t80 -66.77 -63.7 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -49.29 -37.77 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 26.9 tt0 -66.82 -51.95 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD23 HD11 ' A' ' 41' ' ' LEU . 10.6 tp -53.97 -43.0 69.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 101' ' ' SER . 12.6 mt -38.28 -35.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 12.3 mtp-105 -77.39 -54.21 6.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.65 -54.65 41.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -87.62 40.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.03 -46.33 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.62 -45.57 89.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.1 p -81.24 174.12 11.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.4 tp -91.02 127.99 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD11 HD23 ' A' ' 32' ' ' LEU . 11.0 tp -102.52 143.19 32.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.2 t -130.57 103.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.1 t -92.72 117.6 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.437 ' ND1' ' SD ' ' A' ' 60' ' ' MET . 7.6 t-80 -106.85 120.96 43.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' HG21 ' A' ' 89' ' ' ILE . 14.0 m-85 -79.5 120.14 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 21.0 p-90 -123.39 120.63 33.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB3' HG21 ' A' ' 92' ' ' VAL . . . -112.21 145.54 33.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -7.15 20.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.793 ' CH2' HG22 ' A' ' 92' ' ' VAL . 43.5 p-90 -112.54 13.24 20.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -122.69 108.69 32.93 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.585 0.707 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -26.8 27.44 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.14 -34.67 60.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 57.1 m -51.23 -20.58 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -67.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -37.68 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.9 mmt -66.3 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -63.17 -48.43 78.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -56.06 -57.74 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.3 t -47.85 -42.16 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.437 ' SD ' ' ND1' ' A' ' 44' ' ' HIS . 79.0 mtp -56.63 -64.06 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' MET . . . -36.2 -61.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -51.23 -46.04 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.9 mt -59.31 -50.14 75.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 18' ' ' ALA . . . -42.89 -57.46 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -67.27 -40.24 86.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -56.83 -36.27 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.86 90.74 50.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -15.73 36.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.632 2.221 . . . . 0.0 112.341 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -88.35 9.22 24.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.9 t -123.45 150.66 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m -115.59 109.34 17.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -95.89 123.49 39.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.88 134.57 58.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.462 ' HD2' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -112.62 133.69 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.619 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.2 tt -128.06 144.29 51.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.571 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 38.4 tt0 -87.88 108.49 19.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.525 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -43.01 -52.28 5.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -68.87 -25.67 64.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.76 -40.6 44.91 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' HB ' HD11 ' A' ' 75' ' ' LEU . 60.9 t -124.63 81.25 60.71 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.561 0.696 . . . . 0.0 111.071 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.14 37.31 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.376 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.54 -44.42 96.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.4 t -79.1 -48.08 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' GLU . 75.3 m -50.1 -40.47 45.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -61.87 -53.14 59.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.532 ' HD2' ' CE1' ' A' ' 87' ' ' TYR . 10.7 ttmm -45.24 -60.88 1.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.532 ' CE1' ' HD2' ' A' ' 86' ' ' LYS . 84.1 m-85 -80.95 -11.71 59.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 84' ' ' SER . 84.7 mt-10 62.43 48.8 4.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.658 HD11 HD11 ' A' ' 96' ' ' LEU . 22.1 mm -81.92 88.4 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.5 m -106.73 39.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.5 p -158.06 134.58 9.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.793 HG22 ' CH2' ' A' ' 49' ' ' TRP . 20.0 m -140.92 150.56 59.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.0 Cg_endo -69.75 165.17 77.32 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.334 -0.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.57 HG21 HD12 ' A' ' 89' ' ' ILE . 18.5 m -160.46 130.78 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -109.15 147.87 31.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.658 HD11 HD11 ' A' ' 89' ' ' ILE . 29.4 mt -141.1 107.78 5.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -78.96 123.48 27.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -118.25 117.05 28.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -110.38 124.81 52.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.3 t30 50.81 31.71 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.579 ' HA ' HD22 ' A' ' 33' ' ' LEU . 6.3 t 74.93 30.83 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -144.78 115.3 7.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -59.09 127.12 30.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 7.9 pt -118.95 -22.8 3.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.43 ' HB2' ' CE1' ' A' ' 122' ' ' HIS . 13.1 t0 -155.4 163.51 39.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.488 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -157.26 138.12 13.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.1 tt -107.52 136.75 46.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.577 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -121.64 118.79 30.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.22 131.92 7.19 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -56.81 101.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 89.5 m-70 -128.55 118.86 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.763 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.7 -59.5 5.58 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.605 0.717 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.763 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.77 -47.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.742 2.294 . . . . 0.0 112.298 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.491 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 10.7 tp10 -52.21 -44.4 64.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.783 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.2 tp -55.85 -54.53 43.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 97.7 m -56.14 -40.95 74.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -52.12 -60.52 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.682 ' HD2' HD12 ' A' ' 107' ' ' LEU . 36.5 mttm -59.41 -39.13 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.7 t -57.8 -50.69 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.41 -51.26 64.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -51.53 -48.6 62.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 50.0 m-70 -71.09 -41.59 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 122' ' ' HIS . . . -34.84 -36.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 122' ' ' HIS . 1.8 m -47.95 100.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 t -117.93 173.57 6.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -73.84 -96.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 156.14 64.32 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.3 t -164.79 172.03 13.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.0 t -110.14 101.38 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -69.87 -44.4 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m 57.18 41.84 26.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.31 72.84 0.46 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 p -131.57 100.18 5.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.371 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 p -106.7 151.29 25.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.05 55.74 0.53 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -46.91 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.85 41.4 8.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.14 41.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -166.67 108.08 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -115.04 159.7 20.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.78 103.66 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.8 91.4 6.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.1 110.82 17.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -134.6 143.03 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 19' ' ' ALA . 92.8 t -105.86 131.01 56.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -100.51 36.14 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.672 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -124.24 145.89 49.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 49.1 t -75.36 134.24 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -90.87 148.26 22.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -97.19 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.736 HG22 ' OE1' ' A' ' 28' ' ' GLN . 10.7 t -98.54 120.1 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.5 13.24 9.44 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 90.4 p -150.37 148.57 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.27 71.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 31' ' ' GLU . . . -63.02 -44.27 97.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.736 ' OE1' HG22 ' A' ' 23' ' ' VAL . 5.8 tt0 -63.6 -44.93 92.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.537 ' CE1' HG21 ' A' ' 43' ' ' VAL . 7.9 t80 -61.22 -62.86 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -56.88 -32.63 66.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -71.18 -26.48 62.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 ' CD2' HG11 ' A' ' 73' ' ' VAL . 7.0 tp -83.51 -32.9 25.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 33' ' ' LEU . 11.3 mt -47.3 -30.05 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 1.8 ptp180 -86.54 -38.08 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.01 -53.89 38.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HB2' HD13 ' A' ' 41' ' ' LEU . 27.1 mmtp -89.33 30.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.46 -1.47 24.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -100.09 -30.95 11.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.8 m -105.73 174.57 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 123' ' ' ALA . 32.2 tp -82.22 109.56 16.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 36' ' ' LYS . 12.1 tp -91.47 129.74 37.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.08 102.32 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 29' ' ' PHE . 86.6 t -85.65 110.27 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 95' ' ' PHE . 17.6 t-80 -101.19 116.43 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.965 ' CE2' HG21 ' A' ' 89' ' ' ILE . 3.1 m-85 -74.4 113.76 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -116.31 129.52 56.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.787 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -115.48 144.27 32.09 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.562 0.696 . . . . 0.0 111.092 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 0.33 5.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.787 ' NE1' ' HB1' ' A' ' 47' ' ' ALA . 9.1 p-90 -112.6 -58.94 2.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 51' ' ' PRO . . . -45.76 104.5 0.4 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 50' ' ' ALA . 53.6 Cg_endo -69.77 1.42 4.46 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.623 HE21 ' HB3' ' A' ' 110' ' ' ALA . 6.0 tt0 -82.21 -50.06 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 17.5 p -40.82 -36.38 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -35.79 -70.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 59' ' ' VAL . 1.4 pt20 -56.8 -36.66 70.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.607 ' SD ' ' HB1' ' A' ' 110' ' ' ALA . 15.0 mmm -64.67 -27.02 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -70.06 -52.85 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -34.78 78.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 55' ' ' GLN . 28.0 t -63.23 -42.8 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' LEU . 76.3 mtp -62.62 -60.8 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -40.89 -47.55 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.58 -32.82 74.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' MET . 29.8 mt -75.04 -40.82 60.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.48 -53.55 36.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 10.6 ptpt -62.17 -46.39 89.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -58.17 -39.24 78.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.45 HD11 ' NE2' ' A' ' 120' ' ' GLN . 41.2 mt -118.36 87.27 29.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -23.85 30.22 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.74 2.293 . . . . 0.0 112.318 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -73.72 -20.12 60.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 71' ' ' SER . 40.8 t -94.77 153.61 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.414 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.2 m -116.98 116.56 27.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -100.68 124.0 45.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.446 HG11 ' CD2' ' A' ' 32' ' ' LEU . 2.3 m -130.28 127.38 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -104.01 132.72 49.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 75' ' ' LEU . 3.2 tt -127.12 133.69 50.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' OE2' ' N ' ' A' ' 78' ' ' GLU . 0.8 OUTLIER -82.14 110.33 17.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -49.01 -55.89 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' N ' ' OE2' ' A' ' 76' ' ' GLU . 20.5 mt-10 -67.21 -18.35 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.16 -39.72 18.61 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.9 t -126.83 81.05 69.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 111.115 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -5.39 16.1 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -67.97 -48.65 65.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.445 HG13 ' CE1' ' A' ' 87' ' ' TYR . 67.1 t -74.48 -47.11 41.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.7 m -48.99 -35.33 15.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.29 -52.27 19.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -59.89 -35.52 75.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.445 ' CE1' HG13 ' A' ' 83' ' ' VAL . 2.2 m-85 -95.47 -13.65 24.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 mt-10 62.68 30.16 16.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.965 HG21 ' CE2' ' A' ' 45' ' ' PHE . 3.0 mm -68.93 85.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -105.26 41.38 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 p -163.41 135.69 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.554 HG12 ' CB ' ' A' ' 45' ' ' PHE . 3.0 m -145.15 154.09 53.74 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.642 0.734 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.916 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 54.2 Cg_endo -69.72 162.15 84.62 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.368 -0.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.6 m -154.55 124.59 6.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' A' ' 44' ' ' HIS . 31.1 m-85 -101.46 133.73 45.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.733 HD11 HD11 ' A' ' 89' ' ' ILE . 31.5 mt -120.08 110.73 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -81.39 125.25 30.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -123.63 111.99 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -108.14 110.21 21.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 67.95 39.16 2.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.6 p 64.49 37.5 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -151.64 115.06 4.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.46 124.45 18.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 37.8 pt -119.55 -20.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -147.9 170.6 17.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -162.69 127.27 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.4 tt -112.68 108.29 17.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -90.07 129.81 36.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 98.22 159.66 30.24 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.916 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -84.99 94.53 8.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 94.5 m-70 -114.75 112.76 23.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -65.35 -59.42 9.71 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.606 0.717 . . . . 0.0 111.055 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.75 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 0.5 OUTLIER -50.56 -45.28 56.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 119' ' ' VAL . 58.1 tp -52.36 -56.85 12.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 86.3 m -51.59 -42.45 61.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -50.94 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.419 ' HD2' HD12 ' A' ' 107' ' ' LEU . 43.9 mttp -58.27 -48.89 79.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 115' ' ' LEU . 72.6 t -48.29 -58.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.45 ' NE2' HD11 ' A' ' 67' ' ' LEU . 35.7 mm-40 -62.16 -50.94 69.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -42.74 -61.08 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -67.38 -49.56 63.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.533 ' N ' HD22 ' A' ' 40' ' ' LEU . . . -51.46 -16.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.5 t -107.12 101.27 10.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.7 p -93.74 -64.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -100.1 -153.13 27.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 128' ' ' SER . 54.2 Cg_endo -69.72 151.6 69.35 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 127' ' ' PRO . 11.1 t -34.6 128.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.0 m -141.6 109.0 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -104.45 113.42 26.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -140.8 137.66 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.78 137.93 49.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -139.79 127.1 21.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -167.1 106.5 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.99 46.43 0.82 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.444 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -88.49 133.0 34.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.84 78.81 8.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.24 40.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.29 97.28 1.1 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.4 110.67 22.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.15 175.48 9.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -118.38 98.92 6.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.47 126.89 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.38 172.67 17.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.39 133.55 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -102.59 48.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.49 153.08 29.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.5 t -79.26 121.94 33.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -76.1 145.83 39.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 1.3 pm0 -100.96 122.66 43.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.7 t -86.7 117.34 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.07 -31.82 27.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.0 p -158.82 169.92 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -54.2 -51.95 62.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -35.91 -54.91 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -55.94 -58.25 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.348 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 30.4 t80 -47.18 -62.29 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.05 -39.04 12.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -66.54 -43.1 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.769 HD23 HD11 ' A' ' 41' ' ' LEU . 2.5 tp -65.8 -35.94 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 13.1 mt -50.14 -38.23 38.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -74.39 -60.93 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.12 -56.21 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.953 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -86.65 41.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.18 -47.85 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -63.24 -41.69 99.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -81.78 157.64 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.0 tp -78.54 118.32 20.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.769 HD11 HD23 ' A' ' 32' ' ' LEU . 4.6 tp -97.9 137.33 36.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.9 t -123.11 103.09 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HA ' HG23 ' A' ' 73' ' ' VAL . 54.2 t -89.58 98.67 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -90.94 144.57 25.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CD2' HG21 ' A' ' 89' ' ' ILE . 18.0 m-85 -106.89 111.2 23.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 34.1 p-90 -109.99 148.98 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB1' ' NE1' ' A' ' 49' ' ' TRP . . . -137.27 144.14 44.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.75 33.12 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.371 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.676 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 24.8 p-90 -91.26 -57.83 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -60.43 116.21 16.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.56 0.695 . . . . 0.0 111.13 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.92 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.731 2.287 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 110' ' ' ALA . 8.0 mp0 -38.77 -48.0 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.8 m -45.8 -50.71 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -39.98 -52.97 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.474 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 8.6 mmt -52.67 -53.22 50.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -39.78 -53.24 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -62.26 -41.21 98.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.483 ' CG1' HD23 ' A' ' 115' ' ' LEU . 70.0 t -56.05 -53.02 43.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.504 ' HG2' HD21 ' A' ' 115' ' ' LEU . 8.6 mtm -61.1 -47.74 84.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -42.24 -52.62 4.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.25 -56.28 10.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.641 HD21 ' OG1' ' A' ' 116' ' ' THR . 36.3 mt -42.78 -50.72 5.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.555 ' HA ' ' CE1' ' A' ' 72' ' ' PHE . . . -49.35 -42.96 43.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 19.9 mttm -66.15 -39.37 89.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -68.19 -43.53 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD11 ' HG2' ' A' ' 120' ' ' GLN . 5.7 mt -116.7 94.21 43.09 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.9 Cg_endo -69.75 -28.35 25.39 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -65.71 -27.83 68.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -78.34 150.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.628 ' HB2' HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -116.33 106.75 14.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' ' HA ' ' A' ' 64' ' ' ALA . 57.3 m-85 -96.03 128.56 43.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.536 HG23 ' HA ' ' A' ' 43' ' ' VAL . 31.5 m -138.77 121.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -102.15 131.95 48.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.691 HD11 ' HB ' ' A' ' 80' ' ' VAL . 2.5 tt -125.2 140.28 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -85.99 109.93 19.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.15 -40.81 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -83.48 -28.03 29.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.03 -54.2 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.691 ' HB ' HD11 ' A' ' 75' ' ' LEU . 41.2 t -110.49 82.55 2.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.631 0.729 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -31.38 20.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 23.5 tp10 -46.34 -52.46 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -75.3 -51.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.9 m -43.97 -35.64 2.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -70.36 -54.71 11.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.548 ' HD2' ' CE2' ' A' ' 87' ' ' TYR . 32.1 ttmt -42.34 -62.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.548 ' CE2' ' HD2' ' A' ' 86' ' ' LYS . 86.4 m-85 -78.98 -14.16 59.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 66.88 45.37 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.722 HD11 HD11 ' A' ' 96' ' ' LEU . 40.6 mm -78.16 89.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.9 t -111.97 40.74 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.3 p -161.69 143.54 11.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.791 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' ' C ' ' A' ' 93' ' ' PRO . 34.9 m -145.19 150.56 45.51 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 54.4 Cg_endo -69.7 161.18 86.54 Favored 'Cis proline' 0 C--O 1.232 0.212 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.411 -0.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.1 m -161.13 118.94 2.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.6 ' CZ ' HD13 ' A' ' 115' ' ' LEU . 44.8 m-85 -102.06 154.07 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.722 HD11 HD11 ' A' ' 89' ' ' ILE . 35.1 mt -141.11 105.52 4.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CE1' ' OD2' ' A' ' 105' ' ' ASP . 53.6 m-85 -79.18 124.53 28.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CZ ' ' CZ ' ' A' ' 87' ' ' TYR . 38.8 m-85 -119.84 111.2 17.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -112.11 107.88 16.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 70.36 40.9 1.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 49.7 m 64.26 33.39 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -149.31 128.32 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -68.24 134.09 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 105' ' ' ASP . 35.4 pt -124.77 -33.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.476 ' OD2' ' CE1' ' A' ' 97' ' ' PHE . 31.0 t70 -135.6 169.87 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -162.42 122.44 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 108' ' ' ASP . 1.5 tt -108.95 122.39 47.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.532 ' N ' HD23 ' A' ' 107' ' ' LEU . 1.5 t70 -117.56 132.17 56.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.15 129.67 6.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 52' ' ' GLN . . . -51.85 103.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 74.4 m-70 -133.99 114.81 13.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.733 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.83 -58.23 5.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 111.097 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.733 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.3 Cg_endo -69.73 -50.84 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 11.9 tp10 -48.26 -43.44 32.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.731 ' O ' HG23 ' A' ' 119' ' ' VAL . 30.8 tp -55.86 -62.1 1.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.641 ' OG1' HD21 ' A' ' 63' ' ' LEU . 97.3 m -50.82 -52.51 40.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -46.43 -60.98 2.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 29.2 mttm -55.99 -49.35 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 115' ' ' LEU . 89.6 t -50.34 -64.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.527 ' HG2' HD11 ' A' ' 67' ' ' LEU . 78.1 mt-30 -50.37 -57.05 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -43.32 -62.5 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 71.5 m-70 -60.96 -23.3 65.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.21 23.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t 43.75 38.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.7 t -84.42 94.31 8.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 127' ' ' PRO . . . 104.52 97.84 2.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 128' ' ' SER . 54.1 Cg_endo -69.79 102.73 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 127' ' ' PRO . 77.4 p 35.17 41.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.5 p -114.01 131.76 56.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 p -173.91 136.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -160.07 170.8 20.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.19 161.67 12.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -161.4 160.18 29.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -155.39 171.7 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.9 77.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 ttt -115.11 116.09 27.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.45 157.8 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.07 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.98 -54.7 4.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.28 124.75 1.8 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 45.28 41.72 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.87 41.23 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.52 132.7 47.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 41.89 41.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.77 122.01 32.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 19' ' ' ALA . 91.1 t -117.26 137.82 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HB1' ' C ' ' A' ' 64' ' ' ALA . . . -128.85 41.11 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 17' ' ' VAL . . . -116.82 152.93 33.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.059 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.5 t -86.64 103.06 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.93 144.81 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -96.25 109.73 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.546 HG11 ' HB2' ' A' ' 29' ' ' PHE . 90.5 t -88.52 102.53 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.44 31.75 8.16 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.1 p -170.87 138.0 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.521 ' CB ' HG23 ' A' ' 83' ' ' VAL . . . -58.08 -40.62 81.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.141 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -56.1 -46.62 84.76 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.18 -50.0 70.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' HG21 ' A' ' 43' ' ' VAL . 31.1 t80 -59.81 -63.16 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' HA ' HD12 ' A' ' 33' ' ' LEU . 24.8 mt-10 -48.29 -38.87 19.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -67.58 -37.59 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 HD11 ' A' ' 41' ' ' LEU . 4.8 tp -70.7 -36.78 73.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' ' 30' ' ' GLU . 12.5 mt -39.63 -44.21 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 35' ' ' LEU . 7.7 ptt180 -76.32 -37.26 57.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 34' ' ' ARG . 34.7 mt -61.61 -54.26 45.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.809 ' HB2' HD13 ' A' ' 41' ' ' LEU . 64.9 mmtt -98.89 39.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.542 ' HB1' ' HA ' ' A' ' 100' ' ' ASN . . . -75.14 -59.51 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.092 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.44 -40.5 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.9 m -87.14 179.33 6.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.616 HD13 ' HE3' ' A' ' 99' ' ' LYS . 25.9 tp -92.73 116.08 28.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.809 HD13 ' HB2' ' A' ' 36' ' ' LYS . 10.3 tp -94.89 150.53 20.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.1 t -136.64 114.1 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.639 HG21 ' CE1' ' A' ' 29' ' ' PHE . 98.5 t -103.69 102.16 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 1.9 t-160 -94.83 122.58 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.59 ' HB3' HG12 ' A' ' 92' ' ' VAL . 13.3 m-85 -79.34 107.24 11.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CZ2' ' OE1' ' A' ' 76' ' ' GLU . 14.2 p-90 -106.85 134.43 50.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 144.95 55.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -20.39 34.57 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 29.5 p-90 -101.37 21.2 14.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.44 111.07 15.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -46.9 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -48.06 -30.87 4.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 54' ' ' ALA . 53.9 m -65.26 -46.63 79.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 53' ' ' CYS . . . -36.36 -69.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.69 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -56.71 -38.33 72.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.6 mmt -60.13 -20.67 59.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -82.95 -60.53 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.15 -30.26 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 55' ' ' GLN . 53.7 t -64.62 -45.42 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.16 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.1 mtm -60.64 -43.45 97.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.35 -50.59 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.054 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.82 -56.68 10.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.8 mt -43.24 -48.75 6.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.453 ' C ' ' HB1' ' A' ' 18' ' ' ALA . . . -52.65 -42.48 64.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -66.59 -42.32 87.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -64.64 -41.75 95.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.477 HD11 ' OE1' ' A' ' 120' ' ' GLN . 13.7 mt -116.97 97.64 50.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.715 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 54.0 Cg_endo -69.76 -38.71 7.42 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.321 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -57.03 -33.69 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.48 152.95 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.781 ' HB3' HD12 ' A' ' 41' ' ' LEU . 1.9 t -124.99 113.61 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.844 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -97.39 132.87 42.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.8 m -143.74 127.38 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -106.08 127.35 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.539 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.7 tt -117.17 132.7 56.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' OE1' ' CZ2' ' A' ' 46' ' ' TRP . 26.8 tt0 -76.23 104.45 6.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.558 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -42.95 -49.65 5.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -72.43 -26.67 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.3 -47.92 33.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 83' ' ' VAL . 80.9 t -113.5 82.85 6.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.622 0.725 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -19.68 36.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.38 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -63.85 -48.18 77.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 26' ' ' ALA . 86.5 t -73.95 -60.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 88' ' ' GLU . 13.6 m -37.37 -43.43 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -65.41 -46.35 80.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 87' ' ' TYR . 21.2 ttpt -48.92 -44.39 40.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 86' ' ' LYS . 8.0 m-85 -96.77 -10.75 26.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 84' ' ' SER . 41.7 mt-10 63.31 46.14 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.66 HD12 HG21 ' A' ' 94' ' ' THR . 23.6 mm -84.31 84.28 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -101.13 39.68 1.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.5 m -159.23 141.43 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.59 HG12 ' HB3' ' A' ' 45' ' ' PHE . 27.1 m -145.11 151.36 48.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.581 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 53.9 Cg_endo -69.78 165.23 77.23 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.626 -1.822 . . . . 0.0 112.349 -0.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.66 HG21 HD12 ' A' ' 89' ' ' ILE . 29.6 m -160.71 113.66 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 26.6 m-85 -95.38 142.51 27.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.531 HD12 ' HE1' ' A' ' 45' ' ' PHE . 19.9 mt -128.8 106.08 8.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.26 120.79 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 72.8 m-85 -121.59 117.24 26.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.616 ' HE3' HD13 ' A' ' 40' ' ' LEU . 9.4 mmtp -112.46 126.68 55.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.542 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 2.8 m120 52.24 38.25 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.47 ' HA ' HD22 ' A' ' 33' ' ' LEU . 23.3 t 67.25 35.78 4.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -152.64 118.49 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -61.21 135.09 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.444 HG13 ' N ' ' A' ' 105' ' ' ASP . 7.4 pt -123.34 -25.96 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 104' ' ' ILE . 7.4 t70 -152.15 173.37 15.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -161.77 137.15 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.9 tt -107.84 113.07 26.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -95.54 129.76 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 90.28 150.36 23.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.581 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -69.66 126.93 31.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.4 m-70 -153.33 117.05 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.745 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -71.7 -58.58 3.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.578 0.704 . . . . 0.0 111.082 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.745 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.6 Cg_endo -69.76 -42.36 3.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 1.0 OUTLIER -58.28 -39.11 78.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.804 ' O ' HG23 ' A' ' 119' ' ' VAL . 33.5 tp -58.8 -54.03 51.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 88.8 m -55.08 -51.76 65.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -44.42 -60.09 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -58.2 -46.07 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 115' ' ' LEU . 98.4 t -52.18 -62.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.117 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . 0.477 ' OE1' HD11 ' A' ' 67' ' ' LEU . 12.0 mm-40 -55.21 -54.62 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -47.87 -55.93 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -66.14 -25.71 67.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.72 23.51 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 125' ' ' SER . 6.2 m 47.58 40.93 12.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.831 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 124' ' ' SER . 12.4 t 36.76 41.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 133.73 172.65 12.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 2.72 3.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.6 p -39.8 107.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.1 m -127.25 165.8 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 m -60.92 170.26 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -143.33 135.93 27.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.44 144.06 30.1 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -120.65 123.68 43.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -101.48 107.65 19.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.26 81.81 0.33 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -102.21 87.41 3.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.38 84.97 2.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.73 88.64 2.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.46 58.8 2.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.91 54.22 2.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -174.42 118.48 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -76.71 156.69 32.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.08 134.63 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.25 141.79 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 t -115.24 125.31 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.502 ' HB1' ' C ' ' A' ' 64' ' ' ALA . . . -102.74 53.56 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.05 153.18 40.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.9 t -85.19 107.27 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -73.58 146.18 44.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.87 128.62 44.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.3 t -113.45 114.57 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.42 32.68 4.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 p -166.63 134.56 2.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.892 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB2' ' HB3' ' A' ' 82' ' ' GLU . . . -57.89 -41.57 82.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.37 -36.57 77.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.439 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.59 -49.19 69.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 43' ' ' VAL . 28.8 t80 -61.67 -55.84 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -56.44 -34.16 66.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -70.25 -47.3 61.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 34' ' ' ARG . 7.1 tp -59.45 -46.13 89.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . 24.3 mt -36.73 -33.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' LEU . 31.8 mtp180 -79.68 -47.14 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 18.1 mt -61.49 -56.56 18.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -91.01 39.71 1.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.93 -66.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.064 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -53.57 -38.63 64.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -77.08 163.01 27.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.421 HD22 ' O ' ' A' ' 122' ' ' HIS . 64.3 tp -82.77 127.0 33.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD11 HD23 ' A' ' 32' ' ' LEU . 12.2 tp -110.81 147.24 34.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.9 t -134.81 109.92 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 29' ' ' PHE . 99.5 t -94.85 102.88 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -92.85 119.76 32.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.648 ' CD2' HG21 ' A' ' 89' ' ' ILE . 12.2 m-85 -81.41 121.3 26.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.406 ' CE2' ' HG3' ' A' ' 76' ' ' GLU . 21.9 p-90 -124.73 128.86 49.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.646 ' HB1' ' CD1' ' A' ' 49' ' ' TRP . . . -111.84 142.8 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -7.16 20.39 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.646 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 67.3 p-90 -103.38 -32.56 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.79 109.2 28.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.699 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -20.75 34.09 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.469 ' HG2' ' CB ' ' A' ' 110' ' ' ALA . 13.8 tp60 -55.06 -26.18 35.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.4 p -59.52 -17.23 30.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -68.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.028 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -55.92 -38.93 70.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.8 mmt -59.34 -31.08 68.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -74.84 -41.38 59.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.56 -44.44 86.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.1 t -56.01 -39.89 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.411 ' HG2' HD21 ' A' ' 115' ' ' LEU . 8.6 mtm -69.41 -49.49 54.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.04 -52.51 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.05 -53.78 52.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.771 HD13 HG21 ' A' ' 119' ' ' VAL . 31.7 mt -43.61 -59.76 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' C ' ' HB1' ' A' ' 18' ' ' ALA . . . -39.88 -44.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' N ' ' HB1' ' A' ' 18' ' ' ALA . 46.5 mttt -64.61 -46.56 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -63.08 -37.1 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.588 ' CD1' HG12 ' A' ' 119' ' ' VAL . 4.2 mt -120.71 90.7 46.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.04 36.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 112.332 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -84.13 7.86 17.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 71' ' ' SER . 73.7 t -112.67 157.98 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.486 ' N ' HG12 ' A' ' 70' ' ' VAL . 3.3 m -126.78 105.37 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.407 ' HZ ' HG11 ' A' ' 119' ' ' VAL . 84.8 m-85 -93.68 115.35 27.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.18 128.41 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -104.7 131.12 52.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.499 ' C ' HD23 ' A' ' 75' ' ' LEU . 1.9 tt -124.14 151.0 44.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 18.3 tt0 -96.68 120.78 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.19 92.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -78.58 -27.1 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -78.15 -33.37 40.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.29 81.03 50.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.587 0.708 . . . . 0.0 111.105 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -28.45 25.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 27.8 tp10 -45.29 -54.85 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.54 -46.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 88' ' ' GLU . 11.9 m -53.6 -34.11 57.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -66.02 -59.92 3.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.441 ' HD3' ' CE1' ' A' ' 87' ' ' TYR . 12.0 tttm -43.71 -57.39 3.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' A' ' 86' ' ' LYS . 96.8 m-85 -80.3 -14.72 58.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 84' ' ' SER . 13.6 mt-10 63.01 42.8 7.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.648 HG21 ' CD2' ' A' ' 45' ' ' PHE . 15.6 mm -77.79 85.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.094 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -103.56 41.15 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.1 p -158.26 136.0 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.623 HG12 ' HB3' ' A' ' 45' ' ' PHE . 29.1 m -144.52 151.28 50.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.642 ' CG ' ' HB2' ' A' ' 110' ' ' ALA . 54.1 Cg_endo -69.71 159.98 88.63 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.361 -0.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.3 m -158.16 121.45 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -98.66 152.61 19.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.41 HD11 HD11 ' A' ' 89' ' ' ILE . 14.6 mt -139.2 106.79 5.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.97 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 118' ' ' LYS . 79.9 m-85 -80.24 111.83 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -110.58 119.27 38.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -112.09 126.38 55.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 49.89 34.42 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 72.16 32.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -147.41 113.51 5.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.02 131.41 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 105' ' ' ASP . 28.9 pt -119.43 -32.39 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' N ' HG13 ' A' ' 104' ' ' ILE . 17.3 t0 -152.88 147.87 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 107' ' ' LEU . 6.9 ttm180 -131.5 143.66 50.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.599 HD12 ' HD2' ' A' ' 118' ' ' LYS . 3.3 tt -122.45 109.77 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -104.81 125.59 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.4 ' O ' ' CD2' ' A' ' 111' ' ' HIS . . . 106.11 123.84 5.21 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.642 ' HB2' ' CG ' ' A' ' 93' ' ' PRO . . . -50.61 106.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 88.3 m-70 -135.12 119.72 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -69.08 -59.89 4.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.7 Cg_endo -69.73 -47.98 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 5.8 tp10 -49.64 -36.07 23.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.73 ' O ' HG23 ' A' ' 119' ' ' VAL . 48.2 tp -66.17 -59.31 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.453 HG23 HD21 ' A' ' 63' ' ' LEU . 94.5 m -50.05 -44.97 51.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -52.74 -59.94 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.599 ' HD2' HD12 ' A' ' 107' ' ' LEU . 32.1 mttm -56.08 -41.24 74.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.771 HG21 HD13 ' A' ' 63' ' ' LEU . 57.7 t -58.51 -62.68 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -50.27 -54.83 18.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -50.07 -56.71 9.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.475 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 45.3 m-70 -68.56 -8.18 39.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -100.96 13.41 35.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 m 45.92 36.84 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 56.5 p -115.33 151.03 35.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 141.26 152.97 5.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -111.03 160.44 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.0 p -87.17 114.18 23.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -90.79 86.69 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p -105.49 111.25 23.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.64 167.09 23.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -152.66 159.94 43.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.871 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -135.91 166.45 23.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.74 152.75 17.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.7 mtm -139.47 161.55 37.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.16 125.85 25.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.09 -51.67 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.076 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.34 141.0 11.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.2 127.42 32.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 111.073 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.88 128.82 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -109.3 150.86 27.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.32 114.28 9.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.36 122.28 2.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.2 t -91.75 128.36 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 65' ' ' LYS . . . -124.47 41.09 3.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.4 150.0 46.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 20' ' ' VAL . 7.9 p -78.93 117.94 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.06 158.04 35.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.27 131.0 56.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.4 t -83.36 123.52 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.3 -34.09 13.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.1 p -163.55 173.51 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' HB2' ' HG3' ' A' ' 82' ' ' GLU . . . -48.21 -59.67 3.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' ALA . . . -38.14 -57.01 1.77 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.75 -59.81 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 43' ' ' VAL . 36.8 t80 -55.03 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -46.5 -40.34 12.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.37 -58.74 5.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 33' ' ' LEU . 4.2 tp -47.53 -49.54 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 32' ' ' LEU . 12.6 mt -34.25 -50.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.7 mtt180 -57.07 -62.11 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.55 -53.57 29.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -89.92 42.36 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.77 -54.59 6.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -62.5 -43.88 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -72.53 179.53 3.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -99.0 132.71 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.6 tp -112.46 143.11 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.1 t -128.1 105.01 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 29' ' ' PHE . 97.4 t -100.09 105.94 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 95' ' ' PHE . 6.8 t-80 -94.78 139.55 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 89' ' ' ILE . 12.7 m-85 -99.32 103.0 14.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 44.8 p-90 -108.2 136.17 48.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB1' ' CE2' ' A' ' 49' ' ' TRP . . . -113.01 139.03 22.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.095 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 2.2 3.75 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.36 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.629 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 22.2 p-90 -117.93 -53.04 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.629 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -53.06 119.92 18.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.541 0.686 . . . . 0.0 111.095 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -3.44 12.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.252 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ALA . 62.5 mt-30 -73.92 -61.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' GLN . 28.6 p -35.96 -31.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 52' ' ' GLN . . . -39.45 -70.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 59' ' ' VAL . 3.5 pt20 -66.08 -52.97 43.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 56' ' ' MET . 24.1 mmm -40.58 -33.54 0.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.42 -67.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 59' ' ' VAL . 7.1 pt-20 -47.74 -36.08 10.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.476 ' N ' ' HG3' ' A' ' 58' ' ' GLU . 90.6 t -60.17 -39.91 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.098 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' LEU . 83.9 mtp -66.07 -59.77 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.67 -40.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -71.13 -37.74 72.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 60' ' ' MET . 36.7 mt -70.26 -49.89 45.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.83 -49.8 19.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.597 ' HA ' ' HB1' ' A' ' 18' ' ' ALA . 18.4 ptpt -65.37 -47.69 75.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 5.3 tp10 -54.0 -46.38 71.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mt -119.03 94.26 47.98 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.611 0.719 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -27.15 26.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.328 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 70' ' ' VAL . 7.6 pt20 -61.72 -33.77 74.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 71' ' ' SER . 48.7 t -79.97 153.69 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.42 ' N ' HG12 ' A' ' 70' ' ' VAL . 61.2 m -116.36 101.63 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.42 ' C ' HG23 ' A' ' 20' ' ' VAL . 80.4 m-85 -91.23 126.81 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.454 ' CG2' HG22 ' A' ' 43' ' ' VAL . 20.9 m -135.16 122.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -98.39 131.68 44.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -127.29 124.34 38.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -70.36 122.89 20.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.39 74.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -84.67 -27.34 27.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -73.03 -52.6 8.77 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.446 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.1 t -112.05 79.4 2.72 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -40.92 4.69 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.224 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' A' ' 26' ' ' ALA . 3.9 pt-20 -40.07 -50.95 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.38 -57.82 8.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 88' ' ' GLU . 12.9 m -40.83 -42.74 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.44 -57.09 14.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -41.79 -61.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.13 -14.33 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' SER . 43.5 mt-10 65.55 41.76 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.639 HD11 HD11 ' A' ' 96' ' ' LEU . 23.7 mm -77.89 90.43 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -107.22 39.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.3 p -157.36 135.98 11.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 45' ' ' PHE . 20.1 m -145.62 150.46 43.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.608 0.718 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HG3' ' HB2' ' A' ' 110' ' ' ALA . 53.7 Cg_endo -69.77 162.51 84.02 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.322 -0.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 m -161.41 126.91 3.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' A' ' 44' ' ' HIS . 27.5 m-85 -106.79 144.23 33.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 89' ' ' ILE . 85.3 mt -130.4 107.99 9.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -82.34 116.63 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -110.61 125.22 53.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -123.13 115.75 22.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 62.44 37.31 13.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.8 t 66.94 36.51 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -151.36 125.03 9.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -66.64 117.09 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 105' ' ' ASP . 14.8 pt -105.29 -27.65 3.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 104' ' ' ILE . 12.5 t70 -156.36 156.95 34.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.501 ' CG ' HD23 ' A' ' 96' ' ' LEU . 4.1 tmm_? -146.69 147.68 31.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 115' ' ' LEU . 1.7 tt -121.28 115.58 23.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -102.37 129.33 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.06 158.18 25.26 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.485 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.689 ' HB2' ' HG3' ' A' ' 93' ' ' PRO . . . -81.37 94.06 6.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 111.097 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 114' ' ' GLU . 98.5 m-70 -122.07 113.26 19.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -68.49 -58.27 7.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.646 0.736 . . . . 0.0 111.096 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.8 Cg_endo -69.76 -49.58 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.488 ' HB3' ' CB ' ' A' ' 111' ' ' HIS . 26.9 tt0 -46.13 -45.55 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 47.7 tp -56.9 -65.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 33.2 m -38.51 -51.46 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -48.05 -62.1 1.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.417 ' O ' ' CD2' ' A' ' 122' ' ' HIS . 25.2 mttp -54.29 -42.17 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 70.6 t -55.49 -54.04 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -62.01 -51.95 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.8 ttt85 -51.59 -61.99 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.417 ' CD2' ' O ' ' A' ' 118' ' ' LYS . 39.9 m-70 -57.62 -45.1 85.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -40.89 -34.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -175.08 129.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.3 p -62.64 -51.1 68.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 101.62 134.47 8.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.56 10.36 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.659 2.239 . . . . 0.0 112.33 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 67.9 m -87.72 88.66 7.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.8 m 60.01 43.14 14.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 m -86.64 80.74 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -105.4 154.2 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.27 -149.43 27.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -153.61 129.68 10.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -155.98 158.13 37.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.63 119.77 0.71 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.17 154.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.33 161.26 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.45 150.95 42.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.0 -124.34 3.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.98 87.49 6.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -173.11 129.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HG2' ' N ' ' A' ' 15' ' ' ALA . 24.6 tt0 -152.57 151.19 30.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' N ' ' HG2' ' A' ' 14' ' ' GLU . . . -115.71 121.29 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.98 122.18 33.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.87 128.55 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.81 43.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.04 152.35 44.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.1 t -78.47 130.93 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HB2' HG12 ' A' ' 73' ' ' VAL . 3.5 mm-40 -76.66 157.94 31.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.86 116.63 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.733 HG11 ' HB2' ' A' ' 29' ' ' PHE . 99.1 t -107.83 107.87 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.09 37.48 3.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.43 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.457 ' N ' HG21 ' A' ' 80' ' ' VAL . 20.8 p -173.41 155.26 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 0.0 110.885 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.08 -40.83 74.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.16 -41.73 96.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.507 ' HB3' HG13 ' A' ' 23' ' ' VAL . 46.9 tt0 -60.88 -53.89 51.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.733 ' HB2' HG11 ' A' ' 23' ' ' VAL . 7.0 t80 -61.35 -62.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -47.46 -39.64 16.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.68 -53.76 46.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.763 HD23 HD11 ' A' ' 41' ' ' LEU . 5.8 tp -49.54 -51.86 33.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD21 ' CG ' ' A' ' 98' ' ' PHE . 11.4 mt -34.28 -40.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -70.68 -60.82 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.5 mt -52.76 -53.32 49.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -90.19 42.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.29 -47.6 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -57.26 -49.34 76.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.3 m -78.24 174.72 10.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.453 HD22 ' C ' ' A' ' 122' ' ' HIS . 19.5 tp -89.51 126.08 35.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.763 HD11 HD23 ' A' ' 32' ' ' LEU . 5.2 tp -105.84 149.02 26.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.8 t -138.27 110.79 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.643 HG21 ' CE1' ' A' ' 29' ' ' PHE . 96.0 t -99.7 99.63 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 95' ' ' PHE . 4.8 t-80 -88.53 132.05 34.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.716 ' HB3' HG12 ' A' ' 92' ' ' VAL . 11.8 m-85 -90.36 103.04 15.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 76' ' ' GLU . 30.6 p-90 -98.93 136.04 39.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 92' ' ' VAL . . . -122.46 144.07 41.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 111.093 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.87 6.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.7 ' CZ3' ' HB2' ' A' ' 50' ' ' ALA . 22.6 p-90 -71.63 -51.54 22.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.951 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.7 ' HB2' ' CZ3' ' A' ' 49' ' ' TRP . . . -67.68 112.31 10.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.71 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.56 28.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 53' ' ' CYS . 18.4 mp0 -62.03 -48.02 82.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 52' ' ' GLN . 25.4 p -36.0 -37.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HA ' ' OD1' ' A' ' 57' ' ' ASN . . . -52.7 -70.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.41 ' O ' HG23 ' A' ' 59' ' ' VAL . 5.1 mm-40 -37.3 -44.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.435 ' HA ' ' HE2' ' A' ' 56' ' ' MET . 11.1 mmt -64.99 -58.65 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.511 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -40.27 -38.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.83 -53.32 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 55' ' ' GLN . 96.5 t -54.86 -43.17 66.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.79 -55.34 35.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -39.8 -51.33 2.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -63.23 -40.05 96.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 72' ' ' PHE . 21.0 mt -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.14 -59.35 3.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.081 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -67.05 -48.7 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -47.28 -47.31 25.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 29.9 mt -114.35 93.23 30.72 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.623 0.725 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 67' ' ' LEU . 53.8 Cg_endo -69.74 -15.61 37.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.369 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -96.12 24.96 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.3 t -131.46 139.31 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.639 ' HB2' HD12 ' A' ' 41' ' ' LEU . 69.6 m -104.76 105.32 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.803 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 63' ' ' LEU . 94.8 m-85 -95.6 120.27 35.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.618 HG12 ' HB2' ' A' ' 21' ' ' GLU . 15.6 m -134.26 130.23 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -108.26 129.73 55.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.536 HD23 ' N ' ' A' ' 76' ' ' GLU . 9.8 tt -116.65 141.13 48.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 37.7 tt0 -88.67 100.48 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.682 ' HB2' ' HD2' ' A' ' 45' ' ' PHE . . . -42.94 -43.5 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -77.36 -24.64 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -76.52 -41.07 25.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.513 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 25' ' ' SER . 81.8 t -127.26 82.94 67.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 0.0 111.1 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -17.79 37.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.18 -53.67 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.92 -43.64 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.0 m -52.67 -39.64 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.09 -57.02 13.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -42.83 -61.23 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -75.97 -12.66 60.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 62.67 43.67 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.691 HD12 HG21 ' A' ' 94' ' ' THR . 24.4 mm -79.38 92.52 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.6 t -109.08 39.6 2.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.9 p -161.58 141.67 10.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.716 HG12 ' HB3' ' A' ' 45' ' ' PHE . 27.0 m -145.16 151.17 47.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 92' ' ' VAL . 53.9 Cg_endo -69.75 165.14 77.38 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.331 -0.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.691 HG21 HD12 ' A' ' 89' ' ' ILE . 21.7 m -156.53 119.27 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 44' ' ' HIS . 76.7 m-85 -101.66 136.11 42.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.556 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 31.1 mt -122.01 105.26 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -78.98 119.67 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 96' ' ' LEU . 96.9 m-85 -116.99 113.4 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -110.14 112.94 25.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 64.06 41.76 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m 62.71 37.21 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -154.25 112.76 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -55.45 127.39 29.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.488 HG13 ' N ' ' A' ' 105' ' ' ASP . 38.1 pt -119.91 -34.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.488 ' N ' HG13 ' A' ' 104' ' ' ILE . 9.9 t70 -136.98 169.34 17.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -163.04 143.56 9.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.579 HD12 ' HD2' ' A' ' 118' ' ' LYS . 1.6 tt -126.3 121.15 31.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.406 ' N ' HD23 ' A' ' 107' ' ' LEU . 8.9 p-10 -108.12 138.7 43.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 97.21 148.32 23.89 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.62 99.85 2.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 114' ' ' GLU . 80.2 m-70 -127.91 117.24 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 113' ' ' PRO . . . -70.67 -59.27 3.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 112' ' ' ALA . 53.9 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 111' ' ' HIS . 3.9 tp10 -51.98 -43.89 63.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 119' ' ' VAL . 53.5 tp -54.98 -58.26 8.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' LYS . 90.0 m -48.93 -60.33 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' THR . 49.8 mttm -34.6 -67.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.579 ' HD2' HD12 ' A' ' 107' ' ' LEU . 45.5 mttp -52.28 -49.28 64.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 115' ' ' LEU . 99.5 t -51.05 -63.83 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -49.55 -57.64 6.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER -46.49 -60.39 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.453 ' C ' HD22 ' A' ' 40' ' ' LEU . 63.9 m-70 -63.33 -23.52 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.95 23.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.5 t -91.26 78.6 5.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 91.6 p -151.12 135.59 17.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 127' ' ' PRO . . . 58.66 111.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.525 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 128' ' ' SER . 53.7 Cg_endo -69.74 2.64 3.35 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.704 2.269 . . . . 0.0 112.365 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 127' ' ' PRO . 21.8 m -34.83 111.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.2 m 59.47 47.64 10.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 127' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 stop_ save_