data_2csp_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 2csp _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 ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 121.431 0.462 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.68 87.18 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.343 0.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 137.03 34.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.04 121.02 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.55 68.89 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.633 2.222 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 174.89 8.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.386 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -148.74 177.25 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.47 32.74 20.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.72 139.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.88 160.26 33.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.84 108.55 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -86.27 -75.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.77 139.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.63 142.36 16.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.9 t -38.16 -26.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -122.22 157.01 59.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 111.081 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.56 16.51 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.42 10.85 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -142.69 170.74 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.45 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.9 pt -135.84 173.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.18 99.78 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.409 ' O ' ' CE3' ' A' ' 39' ' ' TRP . 7.3 t -80.2 96.66 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.38 140.06 29.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.446 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 19.6 p90 -150.49 176.57 10.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -115.12 107.88 49.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 130.93 20.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.5 42.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -45.42 137.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 83.0 mt -111.54 131.3 55.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 47' ' ' THR . 30.2 p -37.27 157.63 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.55 0.69 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.75 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.477 ' H ' ' C ' ' A' ' 45' ' ' THR . 77.8 p -127.2 -12.52 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 103.04 60.24 0.72 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -156.95 135.83 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.828 0.346 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 43.6 t -82.59 -73.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -116.57 29.23 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.72 -10.47 27.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.77 162.45 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -90.32 97.11 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.409 HG11 ' CG2' ' A' ' 97' ' ' THR . 58.8 t -72.97 117.55 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.1 p -103.14 -13.84 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.93 -169.54 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 97.8 m-85 -121.86 173.84 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.914 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.58 131.87 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 t -97.07 136.08 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 80.3 m-85 -133.16 147.06 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 -74.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -118.61 40.3 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.16 9.32 60.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -123.63 113.48 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 15.7 ttm-85 -51.65 112.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.442 ' CG2' HG12 ' A' ' 80' ' ' VAL . 15.9 m -94.63 -39.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.44 ' N ' HG22 ' A' ' 67' ' ' VAL . . . -142.32 162.42 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.72 119.77 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.48 122.7 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.6 mm -79.64 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.9 t80 -132.88 115.98 14.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -27.37 26.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 15.0 p -103.0 24.66 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.446 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.23 134.02 36.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.15 6.66 16.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -172.3 136.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -140.37 155.02 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.79 143.42 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 81' ' ' GLU . 91.6 t -140.75 138.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.46 ' N ' HG11 ' A' ' 80' ' ' VAL . 6.4 mt-10 -70.24 131.1 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.45 HD21 ' CG2' ' A' ' 35' ' ' ILE . 27.5 mt -77.79 -31.29 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -57.68 -37.4 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -61.3 -26.62 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.3 mt -84.01 -26.06 29.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -65.17 -57.75 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -50.17 -38.12 38.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.25 -12.73 31.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' LEU . 28.9 mt-10 58.34 36.54 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.6 128.93 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.95 25.82 7.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.23 152.61 10.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.86 167.54 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.9 p -136.26 160.34 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 t -121.14 127.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -119.04 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.411 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.22 110.78 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.68 137.85 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.5 p -145.12 176.56 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.57 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -36.42 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.37 -131.33 2.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -132.1 169.3 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.481 ' HG ' ' N ' ' A' ' 105' ' ' VAL . 9.6 t -113.79 172.32 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.481 ' N ' ' HG ' ' A' ' 104' ' ' SER . 27.1 m -54.98 170.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.71 123.77 31.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 98.0 p -62.25 -178.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.78 108.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -49.39 104.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.7 98.57 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 108.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.417 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 86.6 t -63.21 137.17 97.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.468 ' CG ' HD13 ' A' ' 116' ' ' LEU . 54.1 Cg_endo -69.77 146.78 61.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -22.98 31.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.93 -35.34 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 113' ' ' PRO . 84.7 mt -83.57 -33.59 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 111.152 179.817 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.455 0.475 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.5 Cg_endo -69.75 153.65 93.01 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.272 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 137.96 36.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.82 118.64 15.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 148.83 66.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 171.75 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -143.07 -176.61 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 55.81 35.45 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.32 131.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.38 165.43 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.81 114.18 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -93.11 -75.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.85 135.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -87.36 143.32 18.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 66.4 t -35.58 -34.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -114.4 157.14 43.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.76 7.16 32.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 p -138.49 171.7 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.0 pt -136.38 164.35 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -111.58 101.51 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 t -83.79 98.97 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -93.63 140.66 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.477 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 22.5 p90 -147.55 -177.63 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -118.01 107.02 44.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.16 17.14 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 140.4 42.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 44' ' ' LEU . 46.8 t -46.59 138.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 50' ' ' SER . 87.0 mt -112.7 132.82 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 47' ' ' THR . 26.6 p -37.22 157.7 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.611 0.72 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 14.77 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.704 2.27 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 45' ' ' THR . 70.4 p -127.31 -16.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 49' ' ' LEU . . . 107.45 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 48' ' ' GLY . 16.6 mt -154.88 130.42 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' HD22 ' A' ' 44' ' ' LEU . 2.1 t -81.31 -67.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -120.45 28.68 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.94 27.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.45 154.71 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -84.37 103.04 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 97' ' ' THR . 64.0 t -78.9 116.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.8 p -99.69 -15.39 18.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.51 -165.03 36.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 90.2 m-85 -125.38 173.76 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.879 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.44 133.95 5.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.6 t -99.6 134.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 19.7 m-85 -131.76 143.64 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.471 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -108.77 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -119.53 38.86 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.71 7.67 64.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -122.39 114.04 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -47.96 108.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.1 m -92.49 -34.42 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.9 164.06 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -161.02 123.49 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 p -108.84 122.15 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.9 mm -77.56 46.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.6 t80 -136.06 114.97 10.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -24.88 28.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.529 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.1 p -105.27 23.18 14.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.477 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.71 129.64 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -113.3 13.31 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 p -173.14 130.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.73 149.84 45.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.7 143.7 29.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 81' ' ' GLU . 89.9 t -138.56 138.74 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 80' ' ' VAL . 4.7 mt-10 -74.03 124.95 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD21 ' CG2' ' A' ' 35' ' ' ILE . 34.6 mt -71.35 -31.77 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 5.5 p -55.31 -40.77 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.408 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 35.2 mtp85 -58.46 -29.92 66.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 89' ' ' GLU . 11.1 mt -79.22 -26.33 42.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -67.25 -58.18 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.0 -41.04 59.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.51 -15.61 32.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' LEU . 14.1 mt-10 62.61 37.38 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -78.78 125.4 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -98.43 26.24 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.01 156.53 18.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 m -128.05 171.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.7 p -144.34 170.91 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.437 HG22 ' CE3' ' A' ' 39' ' ' TRP . 12.8 t -132.44 132.0 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.561 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 15.2 mtp180 -123.91 133.42 53.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.448 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.24 102.54 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 26.7 mt -76.0 138.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -151.27 169.21 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.16 -32.74 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -72.99 -44.98 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.52 -173.62 41.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -91.33 162.67 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.7 t -112.69 165.04 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m -46.78 163.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.64 124.16 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.8 p -59.25 178.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.69 111.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 p -53.76 104.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.51 98.23 9.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.44 112.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 97.5 t -65.46 138.84 97.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.68 145.94 59.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.94 34.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -71.94 -37.3 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 71.7 mt -79.46 -33.74 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.4 mt -64.0 -34.02 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.846 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.42 0.456 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.82 91.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.39 44.9 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.89 118.21 22.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 149.99 67.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.75 170.96 15.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -142.12 175.93 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 40' ' ' ARG . 4.5 m-20 61.74 35.05 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.8 t -68.3 128.68 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.77 170.24 18.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' N ' ' OG1' ' A' ' 25' ' ' THR . 75.3 t -123.63 111.96 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -90.9 -76.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.26 134.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.3 142.11 18.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLY . 86.7 t -37.5 -28.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 111.169 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.7 p -122.13 157.43 58.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.27 7.62 31.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -141.75 169.43 17.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CG2' HD22 ' A' ' 82' ' ' LEU . 3.5 pt -132.25 173.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -122.8 98.97 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.0 t -80.93 104.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -97.22 142.44 29.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.431 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 17.9 p90 -150.51 -177.68 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 23' ' ' ASP . 6.1 mpt_? -116.84 107.02 46.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 126.67 13.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.47 67.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 44' ' ' LEU . 90.2 t -60.47 139.87 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.9 mt -112.65 131.73 55.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.493 ' C ' ' H ' ' A' ' 47' ' ' THR . 36.5 p -37.64 157.87 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.79 15.71 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 45' ' ' THR . 60.8 p -127.05 -17.11 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 107.22 56.58 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 13.5 mt -155.99 136.75 13.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -86.65 -73.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -111.16 17.76 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.44 -19.47 8.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.87 163.69 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -90.9 96.48 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 97' ' ' THR . 47.7 t -68.86 114.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -110.49 4.44 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' LEU . . . 154.14 179.13 29.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.418 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -114.48 174.13 6.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.94 126.66 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.38 137.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.517 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 40.3 m-85 -133.74 147.8 51.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -114.88 -67.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -124.85 44.79 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.83 12.87 70.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -129.12 112.99 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -48.56 111.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.2 m -92.35 -32.85 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.83 165.73 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -160.66 126.32 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -109.13 121.5 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.1 mm -77.7 45.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -136.25 114.57 10.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -26.67 27.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.371 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 p -104.62 27.84 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.29 145.67 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -119.74 -7.93 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -159.72 141.57 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -141.79 150.98 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 145.95 25.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 81' ' ' GLU . 98.6 t -140.0 143.03 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.458 ' N ' HG12 ' A' ' 80' ' ' VAL . 11.9 mt-10 -78.94 123.68 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 35' ' ' ILE . 54.8 mt -68.03 -33.77 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.62 -37.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -61.54 -28.15 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.1 mt -82.0 -26.27 34.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -67.41 -56.94 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -50.18 -40.93 48.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mt -91.05 -15.98 28.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' LEU . 53.7 mt-10 63.91 37.97 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -79.36 129.83 34.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -101.71 20.37 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.03 155.94 24.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.2 171.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.42 ' C ' HG21 ' A' ' 95' ' ' VAL . 24.9 p -143.98 178.28 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.42 HG21 ' C ' ' A' ' 94' ' ' THR . 40.7 t -136.67 130.03 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.517 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 23.3 mtp180 -121.03 125.96 48.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.458 ' CG2' HG13 ' A' ' 55' ' ' VAL . 2.8 m -68.58 105.91 2.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 22.7 mt -78.83 150.41 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.2 p -158.5 179.53 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.49 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.3 mp0 -85.0 -43.24 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.59 -160.47 33.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.91 170.92 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 t -118.53 168.64 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -50.72 162.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.77 121.98 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.5 p -57.12 179.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.12 112.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.34 104.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.08 98.19 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.74 112.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 86.1 t -66.19 138.38 96.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.1 Cg_endo -69.78 145.26 56.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -22.03 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.28 -30.77 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CG ' ' A' ' 113' ' ' PRO . 62.1 mt -87.44 -28.55 22.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.53 -39.06 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.725 . . . . 0.0 111.167 179.818 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.443 0.469 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.67 85.02 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.33 0.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.63 33.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.89 118.56 8.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.91 69.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.13 15.04 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.69 -176.4 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 54.11 34.01 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.34 127.47 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.41 168.54 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -123.42 113.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -93.55 -75.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.69 134.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.42 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -86.65 144.36 19.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -38.86 -33.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -115.16 156.85 44.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.99 2.44 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.9 p -137.97 169.5 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 ' CG2' HD22 ' A' ' 82' ' ' LEU . 10.3 pt -131.66 179.18 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -125.27 103.01 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 t -85.46 100.17 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -94.49 138.69 32.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.518 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.3 p90 -146.45 -175.14 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -118.13 105.6 46.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 125.79 12.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.09 44.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -45.73 147.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' THR . 92.0 mt -123.34 131.09 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.492 ' C ' ' H ' ' A' ' 47' ' ' THR . 28.1 p -37.25 158.12 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 16.11 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.492 ' H ' ' C ' ' A' ' 45' ' ' THR . 72.4 p -127.14 -18.65 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' C ' ' HG ' ' A' ' 49' ' ' LEU . . . 110.37 58.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HG ' ' C ' ' A' ' 48' ' ' GLY . 10.4 mt -153.34 142.69 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -94.67 -63.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -122.96 29.44 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.83 -12.87 38.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.52 158.78 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.86 109.03 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -89.14 119.91 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -102.86 -17.24 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.83 -161.0 31.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.5 m-85 -126.66 173.13 9.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.85 129.27 3.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 80' ' ' VAL . 87.7 t -94.08 137.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 64.5 m-85 -134.39 155.25 50.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -121.29 -67.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -124.42 44.6 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.55 15.22 66.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -130.62 113.52 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 8.6 ttm180 -48.65 111.03 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.8 m -96.61 -34.86 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 60' ' ' VAL . . . -141.11 166.99 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -166.51 122.66 1.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.74 122.68 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 mm -77.44 46.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.538 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 4.6 t80 -138.12 114.68 9.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.59 29.7 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.394 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.2 p -105.55 24.44 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -82.59 130.16 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -113.64 15.81 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.9 p -171.49 130.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.7 160.55 38.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.61 23.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.485 HG11 ' N ' ' A' ' 81' ' ' GLU . 98.9 t -138.69 137.68 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 80' ' ' VAL . 9.2 mt-10 -76.09 119.52 20.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 35' ' ' ILE . 33.3 mt -68.06 -30.09 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 84' ' ' ARG . 9.4 p -60.18 -42.0 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.479 ' N ' HG13 ' A' ' 83' ' ' VAL . 45.8 mtp85 -57.87 -28.79 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' GLU . 9.7 mt -78.18 -26.87 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -68.28 -56.71 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.22 -41.59 60.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -90.44 -15.31 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 85' ' ' LEU . 32.4 mt-10 61.7 37.89 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -77.91 128.68 34.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -99.38 25.45 6.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 160.89 26.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.13 170.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.107 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.417 ' C ' HG22 ' A' ' 95' ' ' VAL . 26.4 p -141.18 171.83 13.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.518 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.4 t -135.43 125.9 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -115.79 138.94 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 m -79.94 90.04 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 103' ' ' GLU . 47.1 mt -61.31 139.07 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.4 p -142.98 171.43 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.04 -25.71 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -92.69 -42.78 9.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.19 135.35 1.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -51.95 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 p -120.03 -178.13 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.46 176.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 119.37 31.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.4 p -54.5 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.86 108.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.3 p -49.14 104.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.84 98.34 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.32 113.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 98.3 t -66.6 138.92 95.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.71 145.17 56.63 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -23.7 30.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -36.44 77.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 78.2 mt -79.65 -33.03 41.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.04 -37.45 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.143 179.819 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.426 0.459 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 149.41 88.58 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.307 0.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.8 19.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.96 118.41 2.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 149.72 67.32 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 171.73 13.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -142.83 -177.3 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.68 30.96 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.01 127.03 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 164.98 33.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -120.74 111.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -90.08 -75.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.42 135.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -85.29 143.06 20.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -38.89 -30.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.6 p -119.52 158.05 50.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.54 12.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.38 1.43 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.3 p -135.78 170.78 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 4.6 pt -132.92 177.77 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.2 100.06 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 t -83.42 98.18 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -91.7 144.74 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 18.2 p90 -152.13 -176.6 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 2.9 mmm180 -118.66 107.26 42.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 125.53 12.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 144.99 55.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.4 m -46.12 146.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.8 mt -121.46 132.46 54.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 29.7 p -37.51 157.93 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.79 12.02 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.459 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.9 p -126.99 -11.34 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.504 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 102.08 60.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 18.2 mt -156.61 128.44 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.459 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 28.0 t -78.05 -75.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -113.54 30.35 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.7 27.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.21 169.61 9.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -97.94 95.1 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.38 113.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -109.98 6.64 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.88 -178.05 29.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.5 m-85 -119.16 173.4 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.913 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.12 137.74 7.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -102.91 140.81 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -134.91 151.77 51.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.81 -75.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -119.51 45.6 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.22 9.82 66.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.26 114.51 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -49.15 119.3 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.1 m -98.81 -30.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.98 170.92 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.04 127.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.93 122.3 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.6 mm -79.01 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.537 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.5 t80 -133.44 114.42 13.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.84 29.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 20.0 p -104.75 22.58 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.436 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.22 133.83 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -114.65 11.49 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.1 p -173.43 134.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -138.92 152.79 48.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.51 145.39 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 81' ' ' GLU . 95.6 t -141.77 141.95 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.445 ' N ' HG13 ' A' ' 80' ' ' VAL . 8.8 mt-10 -75.58 126.27 30.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.448 HD23 ' CG2' ' A' ' 35' ' ' ILE . 43.9 mt -72.52 -31.64 65.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.5 p -56.9 -41.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 8.5 mtp-105 -59.83 -21.65 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.86 -29.54 22.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -66.15 -59.06 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -45.98 -40.24 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 mt -88.93 -17.77 28.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 66.1 36.02 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.0 130.57 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -102.1 21.16 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.57 156.13 22.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.17 172.07 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.411 ' C ' HG21 ' A' ' 95' ' ' VAL . 24.1 p -138.78 176.4 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.411 HG21 ' C ' ' A' ' 94' ' ' THR . 21.3 t -134.94 127.16 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -118.04 135.52 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 m -75.35 104.07 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 23.5 mt -74.31 145.2 44.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.2 p -153.45 172.85 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.02 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.71 -44.16 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.87 151.84 7.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.17 -179.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.1 p -120.36 177.72 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -55.8 168.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 125.72 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.0 p -59.9 178.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.41 115.66 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.57 105.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.74 99.2 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.6 112.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 89.8 t -65.32 138.63 97.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.623 0.725 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.74 145.94 58.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -25.68 28.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.394 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -64.67 -37.61 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 77.0 mt -81.22 -33.2 33.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.47 -37.61 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.577 0.703 . . . . 0.0 111.151 179.832 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 121.432 0.462 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 156.83 92.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.34 0.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.84 43.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 120.99 39.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 148.37 65.3 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.2 17.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.51 174.94 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.36 35.32 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 t -68.1 127.59 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.91 160.96 42.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.62 110.3 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -87.43 -75.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.37 135.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.19 145.25 19.03 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -43.45 -25.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 p -124.99 157.75 65.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.4 28.48 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' C ' HG22 ' A' ' 34' ' ' THR . . . -101.65 2.96 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.413 HG22 ' C ' ' A' ' 33' ' ' ALA . 67.1 p -141.26 163.25 33.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 pt -127.69 -176.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -130.12 99.16 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 t -83.99 105.19 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -97.7 141.88 30.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -147.72 -175.04 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -122.16 108.38 34.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.58 45.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -42.63 136.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 84.7 mt -110.39 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.466 ' C ' ' H ' ' A' ' 47' ' ' THR . 40.5 p -36.93 156.91 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 13.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 45' ' ' THR . 37.9 p -129.14 -7.36 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.63 61.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.2 mt -154.55 129.82 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 7.6 t -102.16 102.62 13.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 69.61 25.04 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.34 -11.44 67.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.93 162.47 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -100.51 85.88 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.431 ' CG2' ' CB ' ' A' ' 50' ' ' SER . 38.7 t -66.88 120.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -114.91 6.5 15.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.93 -177.88 31.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.422 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.8 m-85 -119.82 172.78 7.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.01 135.19 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.8 t -97.83 139.66 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 96' ' ' ARG . 83.4 m-85 -133.44 148.62 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.37 -73.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -121.49 43.19 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.95 8.82 63.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -128.18 114.98 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NH2' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -46.42 121.6 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.9 m -103.06 -24.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.62 165.89 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -161.8 123.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.58 122.3 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.8 mm -77.9 45.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.6 t80 -136.94 114.14 9.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -25.84 28.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.3 p -103.41 24.77 10.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.71 140.67 39.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -116.77 -2.18 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.1 m -164.82 141.73 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -145.3 143.61 30.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.12 141.85 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 81' ' ' GLU . 95.3 t -135.55 141.47 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.463 ' N ' HG12 ' A' ' 80' ' ' VAL . 5.0 mt-10 -77.29 126.79 31.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.68 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.68 -37.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -63.11 -19.92 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' GLU . 5.5 mt -89.58 -26.36 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -67.36 -59.86 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -46.33 -42.48 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.74 -10.26 40.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 11.9 mt-10 58.6 35.77 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.68 127.8 33.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.1 12.85 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.43 153.41 23.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.88 174.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.405 ' C ' HG23 ' A' ' 95' ' ' VAL . 49.2 p -142.73 175.74 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.405 HG23 ' C ' ' A' ' 94' ' ' THR . 17.1 t -137.23 127.67 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 16.8 mtp180 -118.67 135.34 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 m -74.95 99.85 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD23 ' NH2' ' A' ' 66' ' ' ARG . 19.8 mt -69.78 141.31 53.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 p -149.34 179.81 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.68 -12.09 59.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -97.18 -34.32 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.21 19.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.72 154.12 28.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -99.94 175.43 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.83 162.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.88 125.77 30.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.2 p -59.36 -179.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.06 110.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.3 p -50.64 104.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.06 98.35 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.49 111.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 94.6 t -63.01 138.48 97.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.5 Cg_endo -69.81 142.76 48.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.62 37.22 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -74.25 -37.5 63.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.06 -29.84 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.1 mt -69.01 -38.0 78.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.137 179.821 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.407 0.448 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.94 93.32 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.375 -0.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.74 43.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.83 121.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.04 66.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.9 11.82 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -143.33 -178.39 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.78 28.92 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG12 ' CB ' ' A' ' 110' ' ' ALA . 48.1 t -61.1 129.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -150.06 170.09 19.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.413 ' N ' ' OG1' ' A' ' 25' ' ' THR . 96.2 t -128.22 109.87 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -87.55 -76.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.53 143.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.435 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.93 142.16 15.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -38.24 -34.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -118.98 157.37 50.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.557 0.694 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.58 0.7 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.1 p -141.41 168.36 19.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.155 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.435 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 6.5 pt -133.5 177.41 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -122.07 95.2 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.6 t -80.64 101.66 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.65 160.21 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -167.7 -178.61 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -120.55 110.12 35.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.78 15.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.89 38.81 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -41.75 141.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.0 mt -117.3 134.35 54.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 33.6 p -37.25 157.41 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.4 Cg_endo -69.67 12.12 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 45' ' ' THR . 26.4 p -127.07 -13.59 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.67 63.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.9 mt -157.36 127.01 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -100.79 100.21 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 71.94 25.11 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.72 -8.37 71.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.81 155.0 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -94.14 86.57 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 97' ' ' THR . 41.2 t -68.46 115.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.3 p -106.3 2.38 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' HA2' ' C ' ' A' ' 72' ' ' PHE . . . 155.64 -170.16 33.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.8 m-85 -120.58 173.24 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.999 0.428 . . . . 0.0 110.902 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.59 130.07 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.85 142.08 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE1' ' HD2' ' A' ' 96' ' ' ARG . 51.6 m-85 -133.38 144.03 49.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.53 104.78 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.5 mmpt? 69.6 28.02 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.21 21.46 49.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -136.48 118.76 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -58.6 128.46 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 84' ' ' ARG . 6.1 m -112.84 -28.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.52 168.85 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.68 123.3 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -110.79 121.76 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.7 mm -77.89 45.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.512 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 2.8 t80 -135.63 112.02 10.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -22.86 31.35 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.512 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 51.8 p -105.43 23.41 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.14 145.66 41.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.15 -0.02 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 p -172.75 142.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -141.0 163.82 31.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.8 145.83 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 81' ' ' GLU . 97.6 t -140.29 143.03 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.459 ' N ' HG11 ' A' ' 80' ' ' VAL . 7.4 mt-10 -79.51 123.72 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.1 -33.27 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 2.6 p -53.44 -39.58 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 34.6 mtt85 -61.71 -21.67 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.2 mt -87.35 -24.61 24.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -70.19 -50.92 35.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -54.01 -39.79 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.83 -11.92 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.0 mt-10 60.8 32.81 20.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -72.47 120.9 18.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -92.18 21.74 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.38 156.51 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.15 162.96 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.8 p -133.46 164.56 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.2 t -123.76 127.26 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 55.5 mtt180 -117.43 130.69 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.451 ' CG2' HG11 ' A' ' 55' ' ' VAL . 2.5 m -72.22 105.96 4.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 25.1 mt -76.19 139.5 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 p -150.27 178.11 9.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.27 -19.84 60.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -87.26 -39.99 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.0 166.16 16.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -71.33 157.26 38.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.6 p -105.33 177.29 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.8 m -54.17 162.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.52 118.94 23.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.2 p -54.67 176.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.97 105.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 p -48.92 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 24' ' ' VAL . . . -83.47 99.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.14 111.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 90.5 t -65.4 138.84 97.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.71 144.85 55.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.96 35.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.53 -31.46 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.93 -34.87 17.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.85 -37.24 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.432 0.462 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.76 156.82 92.61 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.359 0.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 137.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 117.79 11.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 149.46 66.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.48 14.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -143.51 -178.52 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 55.98 37.52 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.15 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.28 167.46 26.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -124.83 114.46 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -94.27 -75.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.49 136.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.34 141.02 16.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 55.8 t -35.24 -31.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.6 p -115.2 157.04 44.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.53 21.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.68 7.02 30.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.1 p -137.63 172.12 13.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 5.7 pt -136.81 171.19 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -118.05 100.93 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.86 99.41 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -94.46 142.51 27.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.505 ' CE3' HG23 ' A' ' 95' ' ' VAL . 19.8 p90 -149.78 -176.59 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -116.55 106.06 49.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 127.1 14.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 141.49 45.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -45.68 141.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 89.5 mt -116.53 132.28 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.465 ' C ' ' H ' ' A' ' 47' ' ' THR . 30.7 p -37.47 157.84 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.586 0.708 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 13.44 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.465 ' H ' ' C ' ' A' ' 45' ' ' THR . 80.7 p -128.05 -14.17 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 105.69 58.6 0.64 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 16.4 mt -155.72 130.8 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 18.7 t -83.54 -71.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -114.12 32.12 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.67 -16.2 48.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.83 156.63 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 99' ' ' SER . 3.6 m120 -83.5 105.03 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 97' ' ' THR . 96.5 t -83.03 114.63 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -101.64 -13.68 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.86 -167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 97.3 m-85 -123.74 174.46 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.33 135.76 6.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.4 t -100.14 135.95 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 33.4 m-85 -132.42 156.48 46.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -124.3 -69.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -123.02 44.58 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.07 63.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.425 ' NE2' HD21 ' A' ' 88' ' ' LEU . 49.1 mt-30 -132.68 113.72 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -50.35 107.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -85.98 -30.74 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.32 168.63 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -163.87 124.75 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.75 122.33 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.0 mm -77.83 45.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.446 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 3.1 t80 -134.52 116.84 13.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -29.77 23.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.715 2.277 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.5 p -103.61 28.65 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 72' ' ' PHE . . . -83.16 132.52 35.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -115.51 13.57 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.6 p -172.97 130.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 t -139.34 143.52 37.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' HG21 ' A' ' 80' ' ' VAL . . . -78.39 145.05 35.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 81' ' ' GLU . 92.4 t -140.27 140.51 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 80' ' ' VAL . 11.9 mt-10 -75.08 127.09 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.45 HD21 ' CG2' ' A' ' 35' ' ' ILE . 46.0 mt -72.79 -32.58 65.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.6 p -54.99 -41.15 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 40.4 mtp85 -58.03 -28.42 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.95 -22.73 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 3.5 mmm180 -72.74 -56.83 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.87 -39.86 27.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.425 HD21 ' NE2' ' A' ' 65' ' ' GLN . 4.0 mt -92.27 -18.08 23.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 66.07 37.56 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.418 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -81.53 128.41 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -99.12 22.7 10.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.75 157.92 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' HG21 ' A' ' 94' ' ' THR . 15.1 m -130.67 175.16 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.411 HG21 ' C ' ' A' ' 93' ' ' VAL . 44.2 p -145.81 174.09 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.505 HG23 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.73 126.75 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 24.5 mtp180 -117.9 133.23 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.7 m -74.23 103.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.426 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 21.5 mt -76.45 140.61 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 12.5 p -154.5 167.15 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.0 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -74.57 -47.66 31.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.64 159.11 12.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -72.48 164.0 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.4 p -114.54 171.08 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.42 172.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.6 124.75 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.8 p -55.8 178.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.88 113.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.58 104.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.72 98.96 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.94 111.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 88.4 t -66.35 136.9 95.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 54.0 Cg_endo -69.79 145.61 57.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.25 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.25 28.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.31 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -63.72 -37.34 86.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 113' ' ' PRO . 58.9 mt -81.0 -34.79 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.37 -40.47 95.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 121.375 0.431 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.59 87.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.34 0.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.58 25.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.06 119.69 7.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.703 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 153.08 69.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 169.98 17.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.85 179.35 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.05 39.41 29.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -71.57 133.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.24 169.43 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.12 112.42 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' O ' ' CD1' ' A' ' 116' ' ' LEU . 34.3 mm-40 -90.96 -76.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.23 137.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -87.74 140.56 16.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.4 t -33.41 -34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.9 p -115.41 157.99 42.61 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.09 -0.87 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.1 p -134.16 162.34 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.426 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 3.3 pt -127.49 167.65 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -113.76 103.02 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 t -87.28 102.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.3 162.17 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -172.79 177.3 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -116.59 111.2 41.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 127.21 14.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 142.51 48.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.1 t -47.85 143.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 88.1 mt -119.43 132.23 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 47' ' ' THR . 27.4 p -37.56 158.02 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.572 0.701 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.75 13.97 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.476 ' H ' ' C ' ' A' ' 45' ' ' THR . 47.2 p -126.02 -15.42 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 106.09 56.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 15.5 mt -156.19 132.87 10.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 5.3 t -83.43 -64.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -124.99 34.83 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.86 -17.15 42.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.61 165.93 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -97.4 93.43 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.73 112.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.1 p -106.52 7.5 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.66 179.52 23.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.429 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -112.87 172.0 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 110.881 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.13 126.86 2.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.86 139.05 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 111.114 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -128.43 153.65 46.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.08 105.9 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 68.03 34.56 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 27.49 56.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -143.94 120.21 10.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 66' ' ' ARG . 17.7 ttp-105 -60.24 127.61 32.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.85 -33.67 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.27 177.36 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -169.96 120.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 p -109.19 120.17 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.7 mm -77.29 45.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 2.8 t80 -135.44 114.09 11.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.45 26.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.431 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.7 p -101.7 24.66 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.95 148.37 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -123.16 -7.52 8.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -165.57 139.76 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -140.79 149.76 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.99 146.77 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 81' ' ' GLU . 91.5 t -141.72 142.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.454 ' N ' HG11 ' A' ' 80' ' ' VAL . 11.9 mt-10 -76.5 122.55 24.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 9.2 mt -68.15 -32.67 73.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -52.09 -39.78 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -61.97 -25.21 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 89' ' ' GLU . 3.5 mt -83.59 -24.56 31.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -70.77 -55.47 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -50.54 -38.21 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 mt -95.3 -13.31 24.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.6 mt-10 60.45 38.02 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.19 122.08 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -91.37 25.23 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.55 160.18 24.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -130.03 167.89 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.4 ' C ' HG21 ' A' ' 95' ' ' VAL . 25.9 p -138.54 171.71 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG21 ' C ' ' A' ' 94' ' ' THR . 19.1 t -134.19 127.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -117.4 132.9 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.0 m -72.78 102.69 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.3 mt -73.28 142.76 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.0 p -149.46 -179.76 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.68 43.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -88.06 -42.51 12.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.88 147.93 5.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.1 177.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.1 p -115.71 -179.16 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.89 174.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.89 120.84 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.9 p -56.98 177.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.6 110.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.4 104.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.03 98.42 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.77 113.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.62 133.87 94.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.405 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 53.8 Cg_endo -69.81 145.74 57.81 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.8 32.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.71 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 27' ' ' GLN . 87.3 mt -91.24 -33.74 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.7 mt -63.27 -40.73 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.582 0.706 . . . . 0.0 111.184 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 121.425 0.458 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.424 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.82 150.04 89.67 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.78 41.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.51 118.74 17.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 147.79 63.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.74 18.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -141.57 -176.29 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 54.5 36.85 26.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.47 125.07 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.15 155.19 42.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.8 t -110.78 108.28 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -86.03 -75.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 135.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.01 141.73 18.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.47 -24.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.927 0.394 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLY . 5.2 p -120.83 156.71 56.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.72 12.57 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.95 3.29 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -133.41 169.21 17.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.45 ' CG2' HD22 ' A' ' 82' ' ' LEU . 4.2 pt -134.68 168.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -117.95 100.89 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.88 100.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -93.67 140.99 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.45 ' CE3' HG23 ' A' ' 95' ' ' VAL . 22.4 p90 -148.08 -175.23 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -121.4 105.71 38.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.85 20.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.71 45.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 44' ' ' LEU . 58.2 t -48.56 136.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 89.5 mt -109.9 131.06 55.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.487 ' C ' ' H ' ' A' ' 47' ' ' THR . 32.7 p -37.54 158.03 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.7 15.89 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.487 ' H ' ' C ' ' A' ' 45' ' ' THR . 81.6 p -127.26 -16.72 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 107.41 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 14.6 mt -156.42 135.81 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.425 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.5 t -88.44 -71.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 17' ' ' PRO . 52.6 t-20 -112.66 21.77 15.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.13 -18.44 11.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.62 168.42 10.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -97.11 96.74 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.428 HG11 ' CG2' ' A' ' 97' ' ' THR . 49.0 t -67.02 113.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -108.64 7.57 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.66 179.98 26.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -118.31 175.86 5.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.36 131.84 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -96.94 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CG ' ' NH1' ' A' ' 96' ' ' ARG . 26.9 m-85 -138.96 150.76 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 90' ' ' ALA . . . -113.04 -71.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -119.25 46.76 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.35 12.39 73.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -128.88 113.48 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 15.6 ttp-105 -46.75 116.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -99.62 -29.31 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.36 165.17 33.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.7 124.22 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.17 122.36 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.6 mm -78.71 44.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.6 t80 -135.28 114.34 11.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.27 29.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.2 p -104.15 23.01 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.81 134.96 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.65 7.78 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.4 p -170.46 133.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.04 152.87 49.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.31 27.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 81' ' ' GLU . 86.9 t -137.86 141.48 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 80' ' ' VAL . 5.7 mt-10 -75.38 127.65 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.45 HD22 ' CG2' ' A' ' 35' ' ' ILE . 58.5 mt -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.56 -38.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -60.16 -28.04 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.38 -21.74 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -71.22 -56.32 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.1 -40.25 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mt -90.15 -15.7 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 62.61 36.24 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -78.77 129.39 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.99 20.07 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.41 155.25 23.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.417 ' C ' HG22 ' A' ' 94' ' ' THR . 12.1 m -131.33 174.83 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 93' ' ' VAL . 45.1 p -144.68 175.67 10.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' CE3' ' A' ' 39' ' ' TRP . 15.2 t -133.88 125.79 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.577 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 32.0 mtt85 -113.79 139.27 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.428 ' CG2' HG11 ' A' ' 55' ' ' VAL . 4.3 m -80.53 108.99 14.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.12 139.22 34.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.3 p -152.86 170.19 20.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.51 -26.87 67.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.479 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.91 -155.53 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -109.44 169.81 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 p -120.55 166.58 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.2 m -45.15 160.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.417 ' HB3' ' NH2' ' A' ' 96' ' ' ARG . 0.2 OUTLIER -81.0 128.67 33.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.0 p -59.76 179.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.96 110.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.34 105.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.27 97.85 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.77 109.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 85.6 t -63.76 137.44 97.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.467 ' CG ' HD13 ' A' ' 116' ' ' LEU . 53.8 Cg_endo -69.69 145.26 57.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.86 30.27 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.59 -36.77 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 113' ' ' PRO . 68.6 mt -82.77 -29.19 29.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.94 -37.1 78.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 111.131 179.865 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 121.435 0.464 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.31 93.27 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.348 0.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 118.81 5.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.2 66.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.734 2.29 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 172.06 13.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -144.14 -179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 60.41 33.4 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.1 127.42 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.98 158.84 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.3 t -115.12 112.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -91.81 -75.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.87 134.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.445 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -84.53 145.69 22.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -40.44 -30.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -119.17 157.57 50.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.03 3.99 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 p -137.45 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 5.2 pt -137.57 174.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -123.4 99.4 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -83.05 100.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -93.22 141.69 28.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CE3' HG23 ' A' ' 95' ' ' VAL . 17.9 p90 -149.39 -175.44 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -121.3 106.2 38.49 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.05 18.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.34 54.07 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.711 2.274 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.62 141.26 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 94.6 mt -114.36 133.53 55.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 47' ' ' THR . 24.5 p -37.55 158.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.7 14.98 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.48 ' H ' ' C ' ' A' ' 45' ' ' THR . 66.9 p -127.65 -20.26 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 112.57 55.48 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 16.5 mt -155.76 129.84 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.3 t -82.68 -71.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -114.65 27.76 9.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.75 25.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.45 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -92.85 94.53 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.87 124.07 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.5 p -118.08 4.66 12.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 98' ' ' LEU . . . 156.59 -174.28 34.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -121.87 173.42 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.06 133.8 5.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 80' ' ' VAL . 60.0 t -99.74 131.52 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -129.97 150.87 51.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -116.17 -67.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 65' ' ' GLN . 9.0 mmpt? -124.93 44.6 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.44 13.39 68.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 63' ' ' LYS . 4.2 mp0 -128.22 113.28 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -50.84 108.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' A' ' 80' ' ' VAL . 21.5 m -89.2 -38.84 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.12 165.95 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.32 123.03 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.97 122.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.31 45.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.442 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 2.9 t80 -133.51 115.54 13.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.71 0.767 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -28.83 24.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 p -104.11 28.5 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.498 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -83.26 133.32 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.67 11.0 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.808 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p -171.1 137.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 t -143.89 155.16 43.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' C ' HG23 ' A' ' 80' ' ' VAL . . . -88.62 145.18 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 67' ' ' VAL . 85.5 t -141.37 137.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 80' ' ' VAL . 5.7 mt-10 -72.91 128.3 35.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD23 ' CG2' ' A' ' 35' ' ' ILE . 51.8 mt -74.45 -31.0 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.7 p -56.21 -42.38 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 47.3 mtp85 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' GLU . 9.5 mt -80.26 -27.07 38.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -68.2 -59.29 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -49.9 -40.19 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt -88.85 -17.92 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' LEU . 34.8 mt-10 64.48 38.04 7.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -80.5 126.67 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -98.44 26.37 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.15 158.53 22.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.34 171.64 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.4 p -144.88 168.61 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.546 HG23 ' CE3' ' A' ' 39' ' ' TRP . 14.6 t -130.82 128.51 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -118.72 135.34 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 m -74.46 108.46 7.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 39.0 mt -82.06 139.66 34.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -150.79 175.86 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.34 67.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.68 -43.16 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.24 -153.59 23.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -110.48 173.68 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 p -122.45 170.19 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -47.97 164.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.91 122.55 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.8 p -56.7 178.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.19 108.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.11 104.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.58 98.32 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.4 113.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 84.3 t -65.82 138.62 96.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.8 145.61 57.46 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -22.47 31.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.5 pt-20 -70.97 -36.09 72.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.449 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 80.7 mt -80.0 -37.09 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.84 -33.76 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.706 0.765 . . . . 0.0 111.113 179.864 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 121.454 0.474 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 155.04 93.54 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.303 0.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 137.06 34.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.21 119.28 16.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.521 0.677 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.32 69.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 175.5 8.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -146.87 179.43 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 58.33 30.02 18.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.06 127.64 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.33 166.27 28.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.4 t -120.28 112.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -91.73 -75.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.48 136.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.72 147.18 21.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -40.62 -25.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.414 . . . . 0.0 111.179 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.2 p -126.02 158.81 64.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.59 0.709 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.04 6.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.34 4.0 18.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.9 p -138.25 173.13 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD23 ' A' ' 82' ' ' LEU . 9.6 pt -134.69 176.51 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -125.38 96.8 4.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.53 98.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 m -92.9 140.32 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 17.0 p90 -150.04 -177.08 5.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -118.51 107.8 42.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 128.72 16.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.91 49.13 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.52 144.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.6 mt -119.26 130.4 55.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 47' ' ' THR . 36.0 p -37.61 157.68 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.76 14.11 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.7 p -128.03 -8.0 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.506 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 97.14 61.55 0.94 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 24.0 mt -158.0 126.66 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 43.4 t -76.06 -75.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -113.84 30.12 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 -14.15 33.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.07 156.98 17.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -85.09 98.19 10.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 97' ' ' THR . 50.2 t -76.26 120.94 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.72 -12.87 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.54 -166.68 39.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -122.85 173.98 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.93 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.2 129.63 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -94.33 140.48 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -131.27 156.07 46.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.77 105.0 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? 68.62 31.74 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.9 26.61 48.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -142.5 117.68 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 19.0 ttp-105 -58.9 127.95 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG11 ' CB ' ' A' ' 84' ' ' ARG . 7.2 m -105.95 -24.46 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -159.04 173.35 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -165.56 122.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -107.18 123.15 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 mm -79.8 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.527 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.2 t80 -132.67 115.12 14.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -27.98 25.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.527 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 76.0 p -102.93 26.01 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.39 136.72 36.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -116.82 8.32 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.3 p -169.25 136.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -140.34 146.24 38.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.32 144.55 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 81' ' ' GLU . 98.5 t -142.68 141.45 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.46 ' N ' HG11 ' A' ' 80' ' ' VAL . 6.1 mt-10 -75.11 126.64 31.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 35' ' ' ILE . 50.9 mt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.482 ' HA ' ' CG ' ' A' ' 86' ' ' ARG . 5.2 p -53.25 -43.55 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 50.9 mtp85 -54.62 -37.51 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.87 -13.41 61.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -83.35 -54.24 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -51.4 -28.9 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.46 -13.02 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 63.45 36.78 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.83 125.98 30.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -97.0 23.52 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.6 161.11 28.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 m -130.59 166.06 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.403 ' C ' HG23 ' A' ' 95' ' ' VAL . 26.9 p -137.0 168.81 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.403 HG23 ' C ' ' A' ' 94' ' ' THR . 10.8 t -133.39 123.33 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -115.51 133.27 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.433 ' CG2' HG13 ' A' ' 55' ' ' VAL . 5.5 m -72.74 112.37 8.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 138.61 32.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.3 p -148.37 166.12 29.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.16 -30.39 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -77.53 -45.15 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.97 -152.76 20.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -112.37 170.05 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 105' ' ' VAL . 3.3 t -116.19 174.68 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.413 ' N ' ' OG ' ' A' ' 104' ' ' SER . 32.5 m -54.58 163.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.51 120.62 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.5 p -57.81 175.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.44 113.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.44 104.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.54 98.02 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.13 111.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 93.9 t -67.97 138.44 92.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.73 144.11 53.13 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.62 37.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.326 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.86 -37.53 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.41 HD12 ' CG ' ' A' ' 113' ' ' PRO . 76.8 mt -78.81 -30.88 45.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.412 HD22 ' NH2' ' A' ' 86' ' ' ARG . 46.2 mt -66.19 -40.97 90.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.143 179.828 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 121.439 0.466 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.3 Cg_endo -69.72 151.68 91.54 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.334 0.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.75 36.16 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.9 117.15 8.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 149.58 67.59 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 171.33 14.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -142.9 -177.12 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 54.24 35.72 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.3 t -68.19 129.14 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.71 169.68 19.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.412 ' N ' ' OG1' ' A' ' 25' ' ' THR . 76.2 t -123.24 110.04 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -88.33 -75.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.25 138.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -90.54 142.44 16.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -38.98 -29.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 29' ' ' GLY . 6.3 p -119.07 156.62 52.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -3.4 11.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.15 -5.11 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.2 p -131.22 167.92 18.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.456 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 7.5 pt -131.93 179.43 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -125.64 104.59 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.72 102.45 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -95.0 139.05 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.481 ' CE3' HG23 ' A' ' 95' ' ' VAL . 21.4 p90 -147.13 -178.61 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -117.21 105.04 49.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.23 17.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 138.72 38.54 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.76 134.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.2 mt -107.08 135.69 48.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 47' ' ' THR . 23.6 p -42.21 158.5 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.75 13.16 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.47 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.8 p -127.53 -11.69 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.507 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 101.19 62.11 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 18.1 mt -157.36 128.45 6.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 31.4 t -79.73 -69.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -118.83 32.73 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.49 -11.89 47.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.556 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.39 155.0 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.406 ' C ' ' HB2' ' A' ' 99' ' ' SER . 4.0 m120 -82.46 91.51 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.3 119.98 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.45 -13.62 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.45 -164.26 36.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 89.4 m-85 -124.89 173.9 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.55 129.23 3.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.13 143.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -139.17 149.72 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -118.32 -73.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -118.98 46.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 14.25 70.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -131.88 113.3 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 39.3 ttp180 -47.88 114.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.99 -31.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.29 165.75 33.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 10.2 pt-20 -162.69 124.37 2.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -110.38 123.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.0 mm -77.84 46.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.534 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.2 t80 -135.63 114.7 11.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.31 26.64 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.9 p -103.2 25.15 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.26 137.9 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.01 11.23 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.1 p -172.19 129.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.15 153.54 50.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 144.28 27.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 81' ' ' GLU . 50.9 t -138.44 142.76 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.474 ' N ' HG11 ' A' ' 80' ' ' VAL . 3.9 mt-10 -80.59 124.81 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.53 -31.18 66.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.3 p -56.76 -41.25 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.431 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 7.5 mtp-105 -59.55 -24.32 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' GLU . 6.8 mt -83.4 -26.48 30.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -67.61 -57.64 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -49.29 -38.65 28.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -92.2 -18.16 23.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' LEU . 30.1 mt-10 65.39 38.07 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.434 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -81.75 126.82 32.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -98.16 18.81 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.73 158.05 30.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.7 170.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.6 p -143.04 173.56 11.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.481 HG23 ' CE3' ' A' ' 39' ' ' TRP . 14.2 t -136.1 131.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -123.32 131.57 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.427 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.2 m -73.12 111.0 7.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.06 141.15 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.406 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 97.8 p -151.06 179.3 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.78 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -73.93 -47.77 35.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.78 -136.59 4.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -122.31 170.04 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 t -118.31 171.59 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -52.28 163.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.59 122.96 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.2 p -57.43 -178.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.09 112.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.068 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.2 105.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.69 98.14 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.54 111.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.456 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 94.1 t -65.32 138.03 96.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.456 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.3 Cg_endo -69.74 145.12 56.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.04 36.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -74.15 -35.5 64.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.6 mt -80.57 -33.67 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.13 -30.77 71.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.147 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 121.393 0.441 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.421 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.82 148.56 87.11 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.342 0.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.86 43.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.05 119.77 24.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.24 66.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.84 13.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -144.28 178.14 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 62.68 25.68 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -58.29 127.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 165.39 31.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -121.29 113.71 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.07 -75.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.93 138.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.6 141.07 16.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLY . 65.3 t -37.89 -29.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.5 p -119.91 158.19 50.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.564 0.697 . . . . 0.0 111.167 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.53 16.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.9 8.13 26.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.8 p -140.66 171.76 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CG2' HD21 ' A' ' 82' ' ' LEU . 7.0 pt -135.58 179.3 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -128.12 100.63 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.36 99.07 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -91.87 145.38 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.412 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.1 p90 -152.06 -175.12 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -120.97 104.72 41.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.8 15.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.1 69.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.2 136.62 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 81.8 mt -110.12 131.62 54.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 47' ' ' THR . 32.4 p -37.44 157.65 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.547 0.689 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 14.21 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.389 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.482 ' H ' ' C ' ' A' ' 45' ' ' THR . 64.0 p -127.06 -11.39 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.508 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 101.49 59.27 0.79 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 14.9 mt -156.5 135.19 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.436 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 10.8 t -85.46 -72.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -114.38 20.36 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.15 -11.37 11.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.97 161.58 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -87.56 94.68 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 97' ' ' THR . 57.9 t -68.15 111.51 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.5 p -104.73 -5.32 21.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.6 -174.34 38.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.9 m-85 -117.66 174.55 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.85 132.76 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.7 t -100.14 138.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 90.4 m-85 -137.07 154.43 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -121.17 -70.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -122.06 46.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.74 9.37 71.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -129.52 113.61 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.445 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 30.8 ttp180 -50.76 112.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.43 -26.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.13 176.37 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -169.27 131.88 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.18 123.18 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.8 mm -79.05 45.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.538 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.5 t80 -135.43 113.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -23.95 29.88 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.0 p -104.81 24.11 12.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.5 145.72 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.72 -1.42 10.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.3 m -168.18 138.51 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 t -139.41 143.04 37.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.07 143.75 39.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 81' ' ' GLU . 87.4 t -139.53 140.85 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' N ' HG12 ' A' ' 80' ' ' VAL . 4.1 mt-10 -75.13 130.01 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 ' CG2' ' A' ' 35' ' ' ILE . 60.6 mt -75.98 -28.78 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.35 -37.78 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -62.3 -21.07 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' GLU . 5.2 mt -88.98 -26.05 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -67.1 -54.5 20.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.64 -36.98 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mt -94.1 -14.29 25.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' LEU . 39.4 mt-10 62.33 37.12 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -80.16 133.45 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -105.57 15.02 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.69 153.65 23.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.59 168.55 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 p -137.78 168.43 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.412 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.8 t -131.88 119.22 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -112.14 132.44 54.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.406 ' CG2' HG11 ' A' ' 55' ' ' VAL . 5.3 m -70.4 112.38 6.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.8 mt -84.15 145.66 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.1 p -157.17 168.25 27.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.91 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.1 mp0 -72.75 -44.35 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.66 -153.37 22.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -109.98 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -120.35 175.23 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.6 m -55.4 162.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.73 122.55 27.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 85.9 p -58.8 175.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 103.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -45.05 104.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.69 98.47 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.1 112.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.84 136.52 96.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.81 55.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.06 36.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -77.02 -35.89 56.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.11 -35.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.56 -27.53 64.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.855 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 121.47 0.484 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.29 91.36 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.318 0.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 142.11 47.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 118.67 32.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 54.0 Cg_endo -69.74 147.55 63.23 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -142.91 -175.07 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.19 34.92 21.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -66.55 134.71 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -153.65 169.44 23.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' N ' ' OG1' ' A' ' 25' ' ' THR . 87.4 t -126.71 111.92 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.7 -75.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.84 138.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -89.47 140.17 15.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 62.1 t -35.06 -31.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -115.75 157.18 45.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.43 16.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.264 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.97 5.72 24.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.2 p -135.99 171.5 14.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 4.7 pt -137.2 169.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -117.38 100.94 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.7 t -83.35 99.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -92.77 141.06 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.481 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 23.4 p90 -147.92 -178.9 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -117.11 107.46 45.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.7 13.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.94 36.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -40.34 142.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 96.2 mt -117.21 134.93 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.467 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 25.9 p -37.91 158.02 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.578 0.704 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.78 12.13 0.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.452 ' H ' ' C ' ' A' ' 45' ' ' THR . 42.5 p -126.79 -15.32 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.3 61.31 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.0 mt -154.34 131.7 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.477 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 2.6 t -103.77 98.44 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 71.52 24.99 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.37 -10.09 65.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.05 155.01 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -94.18 85.95 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 50' ' ' SER . 48.9 t -66.09 114.37 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.6 p -112.65 3.0 16.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.43 178.93 32.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -117.89 173.67 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.945 0.403 . . . . 0.0 110.958 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.87 137.2 6.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -101.2 140.16 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -133.79 141.83 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -110.65 -72.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 90' ' ' ALA . 23.4 mmmt -119.74 46.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.14 16.95 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -134.5 112.13 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' CZ ' ' OE1' ' A' ' 69' ' ' GLU . 35.1 ttp180 -48.05 119.86 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 68' ' ' ALA . 14.1 m -101.38 -35.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.419 ' N ' HG21 ' A' ' 67' ' ' VAL . . . -144.56 165.28 28.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE1' ' CZ ' ' A' ' 66' ' ' ARG . 6.2 pt-20 -160.78 126.04 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -111.91 121.0 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.3 44.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.544 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.9 t80 -133.02 115.27 14.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.87 28.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.544 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 13.2 p -104.15 23.83 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.32 135.42 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -119.45 10.48 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.0 p -172.58 130.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -137.61 156.11 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.92 145.88 25.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 81' ' ' GLU . 91.4 t -143.13 139.39 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' N ' HG11 ' A' ' 80' ' ' VAL . 5.7 mt-10 -73.8 127.94 34.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.441 HD22 ' CG2' ' A' ' 35' ' ' ILE . 47.1 mt -74.61 -31.63 62.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.95 -38.85 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -60.01 -29.17 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.9 mt -79.83 -21.72 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -71.11 -55.5 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.77 -39.59 58.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mt -90.87 -17.6 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.0 mt-10 64.68 36.1 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 63' ' ' LYS . . . -73.99 134.02 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -103.91 14.97 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.32 156.11 24.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.0 m -127.82 167.28 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.42 ' C ' HG22 ' A' ' 95' ' ' VAL . 31.1 p -137.99 174.99 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 94' ' ' THR . 17.6 t -135.34 122.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -113.48 133.4 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.439 ' CG2' HG11 ' A' ' 55' ' ' VAL . 2.4 m -73.54 110.8 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -84.81 144.29 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.9 p -155.81 -179.34 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -72.97 -50.67 21.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.97 -144.82 8.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -115.35 161.42 18.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.6 p -111.76 171.12 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.447 ' CG2' ' HG3' ' A' ' 20' ' ' PRO . 34.1 m -47.4 164.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.75 124.92 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.8 p -58.6 176.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.72 109.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.9 p -51.97 104.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.76 98.27 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.16 113.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 59.2 t -66.5 137.28 95.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.447 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.72 145.95 58.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.393 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -25.57 28.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.7 pt-20 -66.57 -31.54 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 66.5 mt -87.17 -32.42 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.94 -40.08 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 111.107 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 121.436 0.464 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.81 154.75 93.5 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.329 0.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 131.65 21.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.0 117.85 4.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.96 66.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.6 14.16 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -143.1 -178.72 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.55 35.11 25.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.43 128.72 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.09 168.27 22.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -121.9 113.94 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -94.07 -75.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 136.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.07 141.12 16.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.9 t -36.15 -30.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' GLY . 4.5 p -117.75 156.92 49.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.62 8.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.78 6.67 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.8 p -137.16 171.17 14.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.446 ' CG2' HD21 ' A' ' 82' ' ' LEU . 5.1 pt -135.19 169.0 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -117.92 102.44 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.8 t -82.98 100.33 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 m -93.29 142.59 27.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 19.2 p90 -151.49 -176.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -120.79 106.17 39.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 142.08 47.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.89 137.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 90.9 mt -112.02 131.32 55.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 47' ' ' THR . 32.8 p -37.35 157.99 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 15.27 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.475 ' H ' ' C ' ' A' ' 45' ' ' THR . 40.7 p -127.26 -16.33 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 49' ' ' LEU . . . 107.01 56.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 48' ' ' GLY . 14.2 mt -154.77 134.05 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 12.9 t -84.1 -72.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.817 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -114.86 34.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.65 -18.23 44.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.04 154.77 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.45 104.03 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.433 HG11 ' CG2' ' A' ' 97' ' ' THR . 35.4 t -75.47 113.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -108.64 6.8 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.39 -173.83 29.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.2 m-85 -120.94 173.78 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.872 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.08 131.32 4.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 t -98.97 141.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -137.12 148.51 46.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.42 -75.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -118.65 50.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.85 15.11 76.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.18 112.84 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -48.62 115.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 m -95.45 -37.87 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.63 164.82 29.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -161.37 121.98 2.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.47 123.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.3 mm -78.45 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -134.11 114.23 12.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.411 ' CB ' HG12 ' A' ' 55' ' ' VAL . 54.0 Cg_endo -69.77 -27.9 25.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.3 p -103.87 27.35 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.68 144.37 32.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -123.11 5.4 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.6 p -169.84 134.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -139.43 156.98 46.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.83 145.17 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 81' ' ' GLU . 60.6 t -140.92 140.07 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.47 ' N ' HG12 ' A' ' 80' ' ' VAL . 4.5 mt-10 -74.63 126.79 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.446 HD21 ' CG2' ' A' ' 35' ' ' ILE . 30.4 mt -73.01 -31.33 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.64 -38.49 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -62.47 -21.15 65.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' GLU . 10.8 mt -88.36 -27.23 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -66.53 -57.46 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.81 -38.22 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 mt -91.74 -15.26 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.3 mm-40 61.37 38.57 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.97 131.47 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -103.38 25.36 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.9 151.54 10.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.23 171.06 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.3 p -143.62 171.66 13.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.1 t -133.16 132.04 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -122.67 135.07 54.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.433 ' CG2' HG11 ' A' ' 55' ' ' VAL . 2.9 m -74.03 108.4 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 44.8 mt -77.75 145.42 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.9 p -162.53 161.39 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.22 -31.48 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 12.6 mp0 -75.02 -44.63 46.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.06 170.63 25.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -78.0 173.9 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.3 p -123.02 167.87 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.8 m -46.16 163.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.89 122.48 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.4 p -57.03 177.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.4 114.24 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.0 p -53.97 105.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.07 98.13 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.39 109.54 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.425 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 62.0 t -64.71 136.89 96.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.425 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.75 144.6 54.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -26.09 27.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.03 -36.62 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.2 mt -82.39 -25.86 33.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.8 mt -69.87 -39.75 76.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 111.182 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.412 0.451 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.1 Cg_endo -69.76 154.47 93.28 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.317 0.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 135.73 31.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.38 120.04 19.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.93 65.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 173.09 11.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.1 178.63 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.07 35.34 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.8 t -70.87 128.93 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 165.94 30.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.36 111.4 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -89.75 -75.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.78 140.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.99 142.05 15.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.0 t -34.9 -32.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.1 p -115.82 157.13 45.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.557 0.694 . . . . 0.0 111.098 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.16 6.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.405 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.97 4.18 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.0 p -133.38 164.34 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.441 HG22 ' CG ' ' A' ' 82' ' ' LEU . 4.1 pt -129.8 166.56 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -116.42 108.69 16.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 t -89.71 98.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.9 m -92.96 137.08 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.498 ' CZ3' HG22 ' A' ' 95' ' ' VAL . 17.6 p90 -147.86 -178.29 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -118.47 106.35 44.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.19 17.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.28 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.6 63.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.0 t -48.89 144.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 81.7 mt -120.81 129.64 53.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 47' ' ' THR . 37.7 p -37.1 157.61 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.544 0.687 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.81 16.91 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -128.46 -14.42 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' HG ' ' A' ' 49' ' ' LEU . . . 105.34 57.86 0.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 48' ' ' GLY . 10.1 mt -152.47 141.08 20.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.425 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 22.7 t -88.59 -74.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -114.91 32.68 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.25 -10.97 43.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.49 155.45 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.01 103.73 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 97' ' ' THR . 61.8 t -84.24 118.2 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.5 p -102.7 -15.66 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.21 -165.45 38.9 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.416 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 m-85 -122.28 174.56 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.955 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.09 132.14 3.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.1 t -96.92 139.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -131.35 153.25 49.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.42 109.4 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' CB ' ' A' ' 90' ' ' ALA . 9.2 mmpt? 66.95 29.32 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.7 26.62 49.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -140.75 118.78 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -58.4 128.4 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.455 HG11 ' CB ' ' A' ' 84' ' ' ARG . 9.5 m -107.02 -29.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.9 177.99 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -170.43 120.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -105.52 122.24 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.3 mm -78.35 45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.536 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.9 t80 -133.78 115.71 13.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -26.28 27.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 18.0 p -104.76 25.31 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.488 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -81.43 135.21 35.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -120.11 15.64 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.7 p -172.23 132.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -141.76 147.01 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.23 142.99 29.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 81' ' ' GLU . 93.2 t -140.71 142.79 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.449 ' N ' HG12 ' A' ' 80' ' ' VAL . 6.0 mt-10 -76.57 121.66 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CG ' HG22 ' A' ' 35' ' ' ILE . 10.3 mt -67.15 -33.38 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -51.11 -39.61 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.455 ' CB ' HG11 ' A' ' 67' ' ' VAL . 51.6 mtp85 -61.32 -25.94 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mt -82.1 -24.48 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -71.12 -55.66 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -51.93 -40.55 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.412 ' CB ' ' HG3' ' A' ' 63' ' ' LYS . 3.5 mt -91.27 -13.07 33.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 60.08 36.73 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 63' ' ' LYS . . . -76.43 122.24 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -92.01 26.31 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.39 161.01 25.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.02 166.44 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.8 p -139.88 157.82 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.498 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 21.2 t -120.61 126.61 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -115.69 130.28 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.453 ' CG2' HG11 ' A' ' 55' ' ' VAL . 3.5 m -71.74 107.96 4.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.416 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 24.1 mt -78.98 138.48 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 p -155.19 167.48 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.01 -36.06 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.38 -47.15 62.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.56 163.01 14.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -67.45 172.04 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.403 ' HG ' ' N ' ' A' ' 105' ' ' VAL . 4.9 t -118.88 171.28 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.403 ' N ' ' HG ' ' A' ' 104' ' ' SER . 35.7 m -53.34 163.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 119.2 22.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.8 p -56.13 177.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.53 102.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -43.9 102.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.24 98.39 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.68 112.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 92.3 t -68.25 138.49 91.92 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.615 0.721 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.74 144.92 55.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -14.87 36.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -74.9 -37.47 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.9 mt -82.43 -26.81 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.2 mt -67.4 -37.19 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.413 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 121.385 0.436 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.73 151.05 91.02 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.312 -0.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 140.98 44.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.31 118.91 24.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.15 69.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 172.02 13.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -142.22 -178.82 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.67 37.78 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.7 t -67.33 132.78 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -150.91 170.26 19.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 25' ' ' THR . 96.1 t -128.18 112.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.88 -75.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.0 140.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.99 140.15 15.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 94.1 t -35.76 -30.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.1 p -120.75 157.76 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.36 3.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.74 6.42 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.8 p -141.17 168.58 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.455 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.2 pt -132.93 168.45 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -116.53 96.54 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 t -81.71 100.5 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.21 160.7 16.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 11.6 p90 -169.0 179.01 4.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 6.0 mmm180 -114.97 106.93 50.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 127.52 14.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.29 50.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.1 m -47.33 149.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 92.0 mt -124.42 131.85 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 47' ' ' THR . 24.9 p -38.13 158.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.73 13.35 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -126.84 -12.02 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 101.96 61.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 16.7 mt -156.78 131.54 8.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 32.5 t -83.15 -75.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -110.56 26.96 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.83 -13.04 29.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.47 163.47 12.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -90.38 91.32 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 97' ' ' THR . 99.6 t -67.39 118.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -106.35 -10.13 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.03 -173.91 40.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -117.48 172.68 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.92 130.8 4.02 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.0 t -94.09 139.84 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.11 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -136.64 155.85 49.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.451 ' HB2' ' CB ' ' A' ' 90' ' ' ALA . . . -122.95 -69.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -122.86 46.67 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.81 12.15 72.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -130.4 112.71 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -51.48 114.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.6 m -93.82 -25.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.63 164.18 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.39 125.02 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.63 120.93 60.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.9 mm -77.82 45.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.54 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.4 t80 -135.67 115.19 11.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -26.15 27.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.54 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 p -104.71 27.08 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.52 141.59 38.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -116.51 -4.97 11.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -164.8 137.52 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -138.72 146.9 42.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.36 146.5 28.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 81' ' ' GLU . 99.2 t -140.45 143.87 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.454 ' N ' HG11 ' A' ' 80' ' ' VAL . 4.6 mt-10 -76.45 129.54 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 35' ' ' ILE . 33.2 mt -75.65 -32.13 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 3.9 p -55.52 -41.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 33.2 mtp85 -60.68 -23.55 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.24 -23.04 28.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -71.57 -53.07 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -52.3 -34.33 46.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mt -96.52 -15.73 21.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 62.83 38.26 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -78.74 134.74 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -103.95 11.84 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.0 159.33 31.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.2 m -131.1 164.53 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.4 p -138.14 170.44 16.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.99 130.89 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -121.79 132.85 54.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.47 ' CG2' HG12 ' A' ' 55' ' ' VAL . 7.3 m -75.6 109.35 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.58 150.3 26.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.417 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 69.1 p -164.93 179.36 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.54 -34.95 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 -52.0 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.08 -175.12 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -86.17 160.36 19.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.7 p -109.26 168.62 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.6 m -49.04 164.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.63 120.61 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.8 p -56.25 -179.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.38 112.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.79 105.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.05 99.14 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.56 111.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -65.69 136.12 95.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.405 ' CG ' HD13 ' A' ' 116' ' ' LEU . 53.4 Cg_endo -69.83 144.19 52.87 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.308 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -75.56 -32.93 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.405 HD13 ' CG ' ' A' ' 113' ' ' PRO . 90.8 mt -82.54 -28.3 31.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.6 mt -72.09 -36.47 69.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.828 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.4 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.438 0.466 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.4 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.4 Cg_endo -69.75 147.79 85.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.32 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 133.99 26.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.31 119.53 9.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.41 69.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.53 12.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -144.98 -177.67 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 57.47 29.66 17.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.89 128.6 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -146.66 170.14 17.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.426 ' N ' ' OG1' ' A' ' 25' ' ' THR . 55.8 t -127.17 111.74 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -91.43 -75.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.98 143.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.81 143.84 16.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' GLY . 61.4 t -36.58 -34.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.4 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.7 p -114.8 156.98 44.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 0.08 6.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.42 3.52 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -138.96 169.76 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 4.2 pt -134.39 174.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -119.75 107.46 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 t -89.88 99.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 m -94.77 142.53 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 95' ' ' VAL . 18.2 p90 -149.34 -175.53 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.8 mmm-85 -120.12 106.91 40.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.26 17.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.58 40.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -45.39 142.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 50' ' ' SER . 85.0 mt -117.37 130.91 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.9 p -37.48 157.82 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.691 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.83 13.6 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.626 2.217 . . . . 0.0 112.351 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.469 ' H ' ' C ' ' A' ' 45' ' ' THR . 43.2 p -127.21 -10.39 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 100.67 59.97 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 20.8 mt -156.85 125.29 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.7 t -76.21 -70.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -117.5 32.42 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.08 -12.14 40.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.07 11.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.335 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.17 111.53 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG11 ' CG2' ' A' ' 97' ' ' THR . 49.0 t -87.83 118.71 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -101.52 -15.49 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.84 41.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -121.47 174.57 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.76 140.02 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 61' ' ' TYR . 90.2 t -106.29 140.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 4.7 m-85 -139.36 151.91 46.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.13 -75.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -114.13 37.73 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.12 8.95 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' NE2' HD13 ' A' ' 88' ' ' LEU . 4.3 pt20 -121.68 135.68 54.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 16.8 ttm180 -73.58 98.81 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.417 ' HB ' ' CD ' ' A' ' 84' ' ' ARG . 30.1 m -79.67 -42.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.93 170.99 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -168.81 122.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.77 123.23 66.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 mm -78.34 44.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.4 t80 -133.76 114.69 13.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -24.95 29.48 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.4 p -104.99 21.78 16.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.458 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.18 134.56 36.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.34 17.92 12.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.8 p -175.02 131.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.1 t -143.05 150.77 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.01 143.28 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 ' N ' ' A' ' 81' ' ' GLU . 93.0 t -136.99 138.14 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.481 ' N ' HG11 ' A' ' 80' ' ' VAL . 14.8 mt-10 -76.01 127.83 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 HD21 ' CG2' ' A' ' 35' ' ' ILE . 39.9 mt -74.17 -29.98 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 5.4 p -57.47 -44.46 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.465 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 82.5 mtt-85 -54.35 -32.15 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.77 -28.95 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -67.6 -54.73 17.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -52.54 -39.12 61.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.476 HD13 ' NE2' ' A' ' 65' ' ' GLN . 1.3 mt -89.8 -12.47 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 60.8 36.98 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.13 142.64 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -107.45 10.55 29.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -165.88 161.78 35.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.69 175.75 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.4 p -144.25 163.45 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.513 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 18.1 t -125.33 126.09 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -117.19 136.34 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.413 ' CG2' HG11 ' A' ' 55' ' ' VAL . 2.9 m -74.73 110.89 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.8 mt -79.13 136.4 37.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 p -149.75 172.26 15.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.59 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.36 -48.84 25.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.05 31.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -74.94 163.65 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.6 p -110.81 164.06 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.8 m -43.31 161.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 120.81 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.4 p -55.16 177.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.61 109.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.6 p -48.97 104.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.09 98.66 8.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.77 112.78 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.8 136.68 94.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 54.1 Cg_endo -69.75 144.92 55.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.28 37.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -74.33 -38.92 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.407 ' CD1' ' HG2' ' A' ' 113' ' ' PRO . 65.9 mt -77.95 -35.15 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.25 -35.22 78.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 111.166 179.804 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 121.438 0.466 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.92 92.85 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.346 0.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 136.64 33.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 120.78 18.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.69 69.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 170.59 16.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.636 2.224 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -140.01 -177.41 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 55.37 37.09 28.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.4 t -69.06 132.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -153.73 170.33 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.404 ' N ' ' OG1' ' A' ' 25' ' ' THR . 77.0 t -124.56 110.31 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -89.51 -75.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -86.4 143.3 19.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 85.2 t -35.64 -37.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -116.46 157.35 45.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.197 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.1 2.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.376 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.7 2.96 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.04 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.5 p -139.58 172.91 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.4 pt -134.61 168.63 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -116.36 95.36 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -78.07 101.32 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 m -94.9 144.05 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -151.56 -175.24 5.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -118.48 106.38 44.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 125.98 12.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.19 69.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.14 146.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 91.8 mt -120.01 130.95 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.487 ' C ' ' H ' ' A' ' 47' ' ' THR . 35.8 p -37.59 158.19 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.512 0.672 . . . . 0.0 111.193 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.0 Cg_endo -69.79 15.89 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.487 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.2 p -127.4 -18.79 4.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.07 52.58 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -152.69 133.03 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -81.39 -73.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -115.23 30.87 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.56 -17.9 30.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.07 154.68 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.95 85.69 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.12 111.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.4 p -104.26 -6.27 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -175.26 38.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -118.08 173.71 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.31 132.74 4.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.465 HG11 ' CG2' ' A' ' 80' ' ' VAL . 53.4 t -96.81 137.85 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.498 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 47.9 m-85 -136.44 156.62 48.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -122.01 -69.0 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -121.86 46.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.46 16.27 69.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.442 ' NE2' HD23 ' A' ' 88' ' ' LEU . 31.0 mt-30 -130.37 113.43 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 11.4 ttm180 -50.45 108.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 80' ' ' VAL . 16.3 m -87.09 -41.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 67' ' ' VAL . . . -140.48 173.97 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.39 126.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.33 121.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -78.21 45.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -135.8 115.09 11.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -30.18 22.51 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.9 p -100.91 27.28 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.72 148.79 38.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -123.9 -6.16 7.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -164.28 142.5 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -142.66 162.17 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.95 144.44 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG2' HG11 ' A' ' 60' ' ' VAL . 90.0 t -140.02 139.92 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.463 ' N ' HG12 ' A' ' 80' ' ' VAL . 5.3 mt-10 -74.37 126.05 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 35' ' ' ILE . 40.7 mt -72.81 -31.24 64.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 5.5 p -56.67 -42.51 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 25.3 mtp180 -57.93 -24.19 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.57 -24.37 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 4.0 mmm180 -70.63 -57.69 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -49.91 -37.4 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.442 HD23 ' NE2' ' A' ' 65' ' ' GLN . 3.6 mt -92.64 -15.88 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 63.51 37.34 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -80.82 125.59 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.8 26.59 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.22 157.85 22.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -127.22 169.78 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.8 p -144.55 160.28 41.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 t -121.19 132.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.498 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 28.7 mtp180 -122.62 130.07 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 m -71.76 103.36 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 20.3 mt -74.63 146.68 42.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 p -165.91 158.0 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.78 58.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.25 -29.4 65.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.61 171.12 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -78.33 164.98 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.9 p -110.29 -178.19 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -62.59 166.88 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.67 119.22 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.5 p -55.0 177.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.22 107.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.1 p -48.14 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.98 98.67 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.17 113.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 93.3 t -67.79 138.47 93.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.79 145.43 56.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -23.98 30.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.97 -40.08 90.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.44 -30.89 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.11 -39.59 93.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 111.104 179.86 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -68.97 83.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t 59.32 42.16 18.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.33 -77.7 1.35 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.539 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -175.05 158.89 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -151.92 173.79 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.26 -50.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.4 t -39.58 110.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -43.65 116.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -160.3 129.86 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.1 m -119.31 100.29 7.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.6 p -121.26 103.13 8.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.1 149.7 70.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.704 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.02 31.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.294 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.77 148.78 44.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.16 178.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.68 87.18 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.343 0.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 137.03 34.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.04 121.02 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.55 68.89 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.633 2.222 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 174.89 8.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.386 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -148.74 177.25 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.47 32.74 20.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.72 139.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.88 160.26 33.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.84 108.55 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -86.27 -75.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.77 139.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.63 142.36 16.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.9 t -38.16 -26.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -122.22 157.01 59.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 111.081 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.56 16.51 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.42 10.85 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -142.69 170.74 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.45 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.9 pt -135.84 173.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.18 99.78 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.409 ' O ' ' CE3' ' A' ' 39' ' ' TRP . 7.3 t -80.2 96.66 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.38 140.06 29.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.446 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 19.6 p90 -150.49 176.57 10.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -115.12 107.88 49.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 130.93 20.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.5 42.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -45.42 137.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 83.0 mt -111.54 131.3 55.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.477 ' C ' ' H ' ' A' ' 47' ' ' THR . 30.2 p -37.27 157.63 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.55 0.69 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.75 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.477 ' H ' ' C ' ' A' ' 45' ' ' THR . 77.8 p -127.2 -12.52 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 103.04 60.24 0.72 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -156.95 135.83 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.828 0.346 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.461 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 43.6 t -82.59 -73.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -116.57 29.23 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.72 -10.47 27.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.77 162.45 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -90.32 97.11 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.409 HG11 ' CG2' ' A' ' 97' ' ' THR . 58.8 t -72.97 117.55 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.1 p -103.14 -13.84 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.93 -169.54 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 97.8 m-85 -121.86 173.84 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.914 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.58 131.87 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 t -97.07 136.08 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.484 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 80.3 m-85 -133.16 147.06 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 -74.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -118.61 40.3 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.16 9.32 60.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -123.63 113.48 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 15.7 ttm-85 -51.65 112.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.442 ' CG2' HG12 ' A' ' 80' ' ' VAL . 15.9 m -94.63 -39.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' N ' HG22 ' A' ' 67' ' ' VAL . . . -142.32 162.42 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.72 119.77 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.48 122.7 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.6 mm -79.64 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.9 t80 -132.88 115.98 14.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -27.37 26.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 15.0 p -103.0 24.66 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.446 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.23 134.02 36.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.15 6.66 16.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -172.3 136.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -140.37 155.02 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.79 143.42 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 81' ' ' GLU . 91.6 t -140.75 138.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' N ' HG11 ' A' ' 80' ' ' VAL . 6.4 mt-10 -70.24 131.1 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.45 HD21 ' CG2' ' A' ' 35' ' ' ILE . 27.5 mt -77.79 -31.29 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -57.68 -37.4 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 -61.3 -26.62 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.3 mt -84.01 -26.06 29.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -65.17 -57.75 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -50.17 -38.12 38.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.25 -12.73 31.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' LEU . 28.9 mt-10 58.34 36.54 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.6 128.93 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.95 25.82 7.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.23 152.61 10.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.86 167.54 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 34.9 p -136.26 160.34 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.7 t -121.14 127.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -119.04 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.411 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.22 110.78 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.68 137.85 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.5 p -145.12 176.56 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.57 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -36.42 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.37 -131.33 2.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -132.1 169.3 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.481 ' HG ' ' N ' ' A' ' 105' ' ' VAL . 9.6 t -113.79 172.32 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.481 ' N ' ' HG ' ' A' ' 104' ' ' SER . 27.1 m -54.98 170.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.71 123.77 31.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 98.0 p -62.25 -178.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.78 108.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -49.39 104.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.7 98.57 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 108.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.417 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 86.6 t -63.21 137.17 97.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.468 ' CG ' HD13 ' A' ' 116' ' ' LEU . 54.1 Cg_endo -69.77 146.78 61.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -22.98 31.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.93 -35.34 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 113' ' ' PRO . 84.7 mt -83.57 -33.59 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.2 mt -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.0 p -82.03 135.11 48.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 160.86 48.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.39 46.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 t -159.91 137.56 7.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.616 0.722 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.72 67.29 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -61.58 117.38 27.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.45 27.57 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.7 p -161.1 161.23 31.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -138.97 -159.09 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 108.52 2.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.686 2.258 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 67.5 m -80.69 111.45 17.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.4 p -103.2 -48.34 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -165.81 140.51 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -161.37 171.52 18.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.84 91.18 0.28 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -89.22 167.98 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t 64.51 42.86 4.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.58 -60.05 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.4 t -133.29 133.55 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -143.76 135.35 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 11' ' ' SER . 75.3 t80 -80.27 160.24 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 16.4 m -71.86 99.57 2.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 p -88.51 102.16 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -84.5 155.79 62.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.729 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.96 9.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.76 141.74 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 66.92 172.8 5.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.501 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.5 Cg_endo -69.75 153.65 93.01 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.272 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 137.96 36.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.82 118.64 15.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 148.83 66.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 171.75 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -143.07 -176.61 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 55.81 35.45 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.32 131.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.38 165.43 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.81 114.18 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -93.11 -75.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.85 135.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -87.36 143.32 18.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 66.4 t -35.58 -34.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -114.4 157.14 43.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.76 7.16 32.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.5 p -138.49 171.7 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.0 pt -136.38 164.35 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -111.58 101.51 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 t -83.79 98.97 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -93.63 140.66 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.477 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 22.5 p90 -147.55 -177.63 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -118.01 107.02 44.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.16 17.14 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 140.4 42.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 44' ' ' LEU . 46.8 t -46.59 138.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 50' ' ' SER . 87.0 mt -112.7 132.82 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 47' ' ' THR . 26.6 p -37.22 157.7 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.611 0.72 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 14.77 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.704 2.27 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 45' ' ' THR . 70.4 p -127.31 -16.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' A' ' 49' ' ' LEU . . . 107.45 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' HG ' ' C ' ' A' ' 48' ' ' GLY . 16.6 mt -154.88 130.42 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' HD22 ' A' ' 44' ' ' LEU . 2.1 t -81.31 -67.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -120.45 28.68 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.94 27.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.45 154.71 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -84.37 103.04 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 97' ' ' THR . 64.0 t -78.9 116.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.8 p -99.69 -15.39 18.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.51 -165.03 36.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.448 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 90.2 m-85 -125.38 173.76 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.879 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.44 133.95 5.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.6 t -99.6 134.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 19.7 m-85 -131.76 143.64 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.471 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -108.77 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -119.53 38.86 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.71 7.67 64.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -122.39 114.04 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -47.96 108.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.1 m -92.49 -34.42 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.9 164.06 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -161.02 123.49 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 p -108.84 122.15 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.9 mm -77.56 46.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.529 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.6 t80 -136.06 114.97 10.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -24.88 28.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.529 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.1 p -105.27 23.18 14.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.477 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.71 129.64 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -113.3 13.31 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 p -173.14 130.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.73 149.84 45.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.7 143.7 29.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 81' ' ' GLU . 89.9 t -138.56 138.74 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.465 ' N ' HG12 ' A' ' 80' ' ' VAL . 4.7 mt-10 -74.03 124.95 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD21 ' CG2' ' A' ' 35' ' ' ILE . 34.6 mt -71.35 -31.77 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 5.5 p -55.31 -40.77 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.408 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 35.2 mtp85 -58.46 -29.92 66.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 89' ' ' GLU . 11.1 mt -79.22 -26.33 42.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -67.25 -58.18 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.0 -41.04 59.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mt -89.51 -15.61 32.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' LEU . 14.1 mt-10 62.61 37.38 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -78.78 125.4 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -98.43 26.24 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.01 156.53 18.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 m -128.05 171.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.7 p -144.34 170.91 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.437 HG22 ' CE3' ' A' ' 39' ' ' TRP . 12.8 t -132.44 132.0 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.561 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 15.2 mtp180 -123.91 133.42 53.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.448 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.24 102.54 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 26.7 mt -76.0 138.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -151.27 169.21 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.16 -32.74 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -72.99 -44.98 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.52 -173.62 41.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -91.33 162.67 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.7 t -112.69 165.04 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m -46.78 163.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.64 124.16 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.8 p -59.25 178.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.69 111.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.9 p -53.76 104.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.51 98.23 9.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.44 112.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 97.5 t -65.46 138.84 97.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.68 145.94 59.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -20.94 34.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -71.94 -37.3 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 71.7 mt -79.46 -33.74 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.4 mt -64.0 -34.02 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.468 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 7.6 p -84.18 137.54 39.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.9 Cg_endo -69.76 144.55 54.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 152.82 69.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 m -152.04 132.65 7.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 115.04 3.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -59.0 138.44 87.65 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.62 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.2 p -62.23 149.64 41.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -130.3 -96.21 0.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.55 11.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.6 p -60.94 -56.7 17.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.2 p -76.18 137.71 40.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -148.34 157.81 43.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 m -90.78 149.14 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.35 -54.15 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -77.82 143.88 37.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -82.23 133.89 35.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.89 -87.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.0 143.74 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -94.79 171.64 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -133.39 134.31 43.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.3 m -73.67 96.54 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -100.65 41.19 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mt -43.76 140.34 2.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.69 28.64 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.734 2.29 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.06 124.66 7.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.11 177.23 43.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.82 91.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.39 44.9 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.89 118.21 22.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 149.99 67.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.75 170.96 15.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -142.12 175.93 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 40' ' ' ARG . 4.5 m-20 61.74 35.05 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.8 t -68.3 128.68 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.77 170.24 18.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' N ' ' OG1' ' A' ' 25' ' ' THR . 75.3 t -123.63 111.96 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -90.9 -76.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.26 134.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.3 142.11 18.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLY . 86.7 t -37.5 -28.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 111.169 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.7 p -122.13 157.43 58.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.27 7.62 31.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.6 p -141.75 169.43 17.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CG2' HD22 ' A' ' 82' ' ' LEU . 3.5 pt -132.25 173.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -122.8 98.97 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.0 t -80.93 104.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -97.22 142.44 29.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.431 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 17.9 p90 -150.51 -177.68 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 23' ' ' ASP . 6.1 mpt_? -116.84 107.02 46.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 126.67 13.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.47 67.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 44' ' ' LEU . 90.2 t -60.47 139.87 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.9 mt -112.65 131.73 55.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.493 ' C ' ' H ' ' A' ' 47' ' ' THR . 36.5 p -37.64 157.87 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.79 15.71 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 45' ' ' THR . 60.8 p -127.05 -17.11 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 107.22 56.58 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 13.5 mt -155.99 136.75 13.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -86.65 -73.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -111.16 17.76 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.44 -19.47 8.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.87 163.69 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -90.9 96.48 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.458 HG13 ' CG2' ' A' ' 97' ' ' THR . 47.7 t -68.86 114.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -110.49 4.44 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' LEU . . . 154.14 179.13 29.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.418 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -114.48 174.13 6.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.94 126.66 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.5 t -92.38 137.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.517 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 40.3 m-85 -133.74 147.8 51.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -114.88 -67.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -124.85 44.79 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.83 12.87 70.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -129.12 112.99 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -48.56 111.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.2 m -92.35 -32.85 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.83 165.73 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -160.66 126.32 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -109.13 121.5 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.1 mm -77.7 45.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -136.25 114.57 10.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -26.67 27.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.371 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 p -104.62 27.84 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.29 145.67 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -119.74 -7.93 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -159.72 141.57 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -141.79 150.98 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 145.95 25.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 81' ' ' GLU . 98.6 t -140.0 143.03 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' N ' HG12 ' A' ' 80' ' ' VAL . 11.9 mt-10 -78.94 123.68 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' CG2' ' A' ' 35' ' ' ILE . 54.8 mt -68.03 -33.77 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.62 -37.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -61.54 -28.15 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.1 mt -82.0 -26.27 34.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -67.41 -56.94 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -50.18 -40.93 48.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mt -91.05 -15.98 28.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' LEU . 53.7 mt-10 63.91 37.97 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -79.36 129.83 34.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -101.71 20.37 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.03 155.94 24.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.2 171.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.42 ' C ' HG21 ' A' ' 95' ' ' VAL . 24.9 p -143.98 178.28 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.42 HG21 ' C ' ' A' ' 94' ' ' THR . 40.7 t -136.67 130.03 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.517 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 23.3 mtp180 -121.03 125.96 48.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.458 ' CG2' HG13 ' A' ' 55' ' ' VAL . 2.8 m -68.58 105.91 2.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 22.7 mt -78.83 150.41 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.2 p -158.5 179.53 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.49 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.3 mp0 -85.0 -43.24 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.59 -160.47 33.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.91 170.92 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 t -118.53 168.64 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -50.72 162.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.77 121.98 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.5 p -57.12 179.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.12 112.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.34 104.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.08 98.19 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.74 112.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 86.1 t -66.19 138.38 96.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.1 Cg_endo -69.78 145.26 56.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -22.03 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.28 -30.77 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.427 HD12 ' CG ' ' A' ' 113' ' ' PRO . 62.1 mt -87.44 -28.55 22.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.53 -39.06 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.8 p -80.36 135.62 53.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.725 . . . . 0.0 111.167 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 147.72 63.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.03 69.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.1 t -142.85 140.43 18.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.554 0.692 . . . . 0.0 111.161 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.69 26.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -38.68 141.31 0.59 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.563 0.697 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -48.76 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' GLY . 87.8 p -110.13 97.1 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' SER . . . 36.75 -156.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 125.66 12.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -117.23 158.56 24.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.0 p -90.0 119.33 30.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.55 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -148.64 168.49 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -169.84 173.93 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.99 -160.44 8.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -139.78 120.74 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -155.05 112.58 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.64 -160.14 8.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.7 m -142.47 147.24 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -38.69 148.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -96.53 95.94 8.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m -43.81 142.55 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 ' C ' ' HG ' ' A' ' 13' ' ' LEU . 23.9 p -88.96 101.14 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' HG ' ' C ' ' A' ' 12' ' ' THR . 7.2 mt -149.55 139.75 13.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 132.58 23.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.234 . . . . 0.0 112.359 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -154.45 138.75 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.32 -178.37 38.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.67 85.02 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.33 0.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.63 33.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.89 118.56 8.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.91 69.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.13 15.04 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.69 -176.4 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 54.11 34.01 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.1 t -67.34 127.47 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.41 168.54 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -123.42 113.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -93.55 -75.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.69 134.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -86.65 144.36 19.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -38.86 -33.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -115.16 156.85 44.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.99 2.44 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.9 p -137.97 169.5 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 ' CG2' HD22 ' A' ' 82' ' ' LEU . 10.3 pt -131.66 179.18 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -125.27 103.01 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 t -85.46 100.17 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -94.49 138.69 32.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.518 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.3 p90 -146.45 -175.14 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -118.13 105.6 46.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 125.79 12.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.09 44.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -45.73 147.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' THR . 92.0 mt -123.34 131.09 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.492 ' C ' ' H ' ' A' ' 47' ' ' THR . 28.1 p -37.25 158.12 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 16.11 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.492 ' H ' ' C ' ' A' ' 45' ' ' THR . 72.4 p -127.14 -18.65 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' C ' ' HG ' ' A' ' 49' ' ' LEU . . . 110.37 58.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' HG ' ' C ' ' A' ' 48' ' ' GLY . 10.4 mt -153.34 142.69 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -94.67 -63.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -122.96 29.44 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.83 -12.87 38.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.52 158.78 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.86 109.03 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -89.14 119.91 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -102.86 -17.24 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.83 -161.0 31.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.5 m-85 -126.66 173.13 9.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.85 129.27 3.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.455 HG11 ' CG2' ' A' ' 80' ' ' VAL . 87.7 t -94.08 137.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 64.5 m-85 -134.39 155.25 50.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -121.29 -67.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -124.42 44.6 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.55 15.22 66.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -130.62 113.52 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 8.6 ttm180 -48.65 111.03 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.8 m -96.61 -34.86 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 60' ' ' VAL . . . -141.11 166.99 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -166.51 122.66 1.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.74 122.68 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.5 mm -77.44 46.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.538 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 4.6 t80 -138.12 114.68 9.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.59 29.7 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.394 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.2 p -105.55 24.44 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -82.59 130.16 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -113.64 15.81 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.9 p -171.49 130.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.7 160.55 38.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.61 23.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.485 HG11 ' N ' ' A' ' 81' ' ' GLU . 98.9 t -138.69 137.68 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.485 ' N ' HG11 ' A' ' 80' ' ' VAL . 9.2 mt-10 -76.09 119.52 20.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD22 ' CG2' ' A' ' 35' ' ' ILE . 33.3 mt -68.06 -30.09 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 84' ' ' ARG . 9.4 p -60.18 -42.0 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.479 ' N ' HG13 ' A' ' 83' ' ' VAL . 45.8 mtp85 -57.87 -28.79 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' GLU . 9.7 mt -78.18 -26.87 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -68.28 -56.71 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.22 -41.59 60.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -90.44 -15.31 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 85' ' ' LEU . 32.4 mt-10 61.7 37.89 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -77.91 128.68 34.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -99.38 25.45 6.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 160.89 26.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.13 170.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.107 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.417 ' C ' HG22 ' A' ' 95' ' ' VAL . 26.4 p -141.18 171.83 13.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.518 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.4 t -135.43 125.9 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -115.79 138.94 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 m -79.94 90.04 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 103' ' ' GLU . 47.1 mt -61.31 139.07 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.4 p -142.98 171.43 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.04 -25.71 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -92.69 -42.78 9.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.19 135.35 1.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.459 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -51.95 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 p -120.03 -178.13 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.46 176.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 119.37 31.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 25.4 p -54.5 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.86 108.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.3 p -49.14 104.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.84 98.34 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.32 113.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 98.3 t -66.6 138.92 95.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.71 145.17 56.63 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -23.7 30.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -36.44 77.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 78.2 mt -79.65 -33.03 41.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.0 mt -69.04 -37.45 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.43 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 9.1 p -82.42 136.43 45.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.43 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.84 158.83 55.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.14 62.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.9 t -124.0 140.81 35.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.525 0.678 . . . . 0.0 111.198 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.15 19.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -114.79 90.27 21.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.72 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -47.16 -55.66 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 134.43 -167.12 23.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.55 2.59 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.4 m -56.55 -43.32 79.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.2 p -89.37 106.51 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -129.82 173.39 10.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.821 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -122.59 144.06 49.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.51 173.02 27.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -114.26 146.99 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -127.39 178.59 5.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.05 -168.06 12.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -162.3 136.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -71.32 135.08 47.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -132.42 178.32 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 m -131.36 165.88 22.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.6 p -114.38 40.8 2.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.67 150.4 57.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 135.42 30.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.402 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.18 131.19 23.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.67 174.21 46.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 149.41 88.58 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.307 0.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.8 19.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.96 118.41 2.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 149.72 67.32 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 171.73 13.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -142.83 -177.3 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.68 30.96 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.01 127.03 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 164.98 33.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.8 t -120.74 111.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -90.08 -75.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.42 135.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -85.29 143.06 20.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -38.89 -30.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.6 p -119.52 158.05 50.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.54 12.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.38 1.43 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.3 p -135.78 170.78 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 4.6 pt -132.92 177.77 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.2 100.06 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 t -83.42 98.18 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -91.7 144.74 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 18.2 p90 -152.13 -176.6 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 2.9 mmm180 -118.66 107.26 42.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 125.53 12.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 144.99 55.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.4 m -46.12 146.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.8 mt -121.46 132.46 54.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.464 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 29.7 p -37.51 157.93 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.79 12.02 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.459 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.9 p -126.99 -11.34 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.504 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 102.08 60.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 18.2 mt -156.61 128.44 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.459 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 28.0 t -78.05 -75.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -113.54 30.35 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.7 27.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.21 169.61 9.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -97.94 95.1 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.9 t -69.38 113.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -109.98 6.64 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.88 -178.05 29.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.5 m-85 -119.16 173.4 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.913 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.12 137.74 7.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.4 t -102.91 140.81 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -134.91 151.77 51.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.81 -75.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -119.51 45.6 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.22 9.82 66.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.26 114.51 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -49.15 119.3 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.1 m -98.81 -30.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.98 170.92 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.04 127.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.93 122.3 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.6 mm -79.01 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.537 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.5 t80 -133.44 114.42 13.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.84 29.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 20.0 p -104.75 22.58 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.436 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.22 133.83 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -114.65 11.49 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.1 p -173.43 134.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -138.92 152.79 48.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.51 145.39 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 81' ' ' GLU . 95.6 t -141.77 141.95 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.445 ' N ' HG13 ' A' ' 80' ' ' VAL . 8.8 mt-10 -75.58 126.27 30.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.448 HD23 ' CG2' ' A' ' 35' ' ' ILE . 43.9 mt -72.52 -31.64 65.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.5 p -56.9 -41.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 8.5 mtp-105 -59.83 -21.65 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.86 -29.54 22.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -66.15 -59.06 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -45.98 -40.24 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.6 mt -88.93 -17.77 28.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 66.1 36.02 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.0 130.57 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mmpt? -102.1 21.16 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.57 156.13 22.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.17 172.07 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.411 ' C ' HG21 ' A' ' 95' ' ' VAL . 24.1 p -138.78 176.4 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.411 HG21 ' C ' ' A' ' 94' ' ' THR . 21.3 t -134.94 127.16 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -118.04 135.52 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 m -75.35 104.07 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 23.5 mt -74.31 145.2 44.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.2 p -153.45 172.85 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.02 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -83.71 -44.16 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.87 151.84 7.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.17 -179.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.1 p -120.36 177.72 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -55.8 168.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 125.72 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 91.0 p -59.9 178.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.41 115.66 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.57 105.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.74 99.2 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.6 112.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 89.8 t -65.32 138.63 97.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.623 0.725 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.74 145.94 58.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -25.68 28.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.394 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -64.67 -37.61 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 77.0 mt -81.22 -33.2 33.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.47 -37.61 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p -82.95 134.86 45.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.577 0.703 . . . . 0.0 111.151 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.3 56.87 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 134.52 28.29 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 122' ' ' PRO . 96.3 m -46.02 138.68 5.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.505 0.669 . . . . 0.0 111.213 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 121' ' ' THR . 53.7 Cg_endo -69.75 160.8 48.34 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -117.63 143.01 31.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 163.41 38.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.3 m -120.87 156.78 31.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -86.46 142.52 18.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 -17.88 37.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.378 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.5 t -70.98 -64.53 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -85.95 142.0 29.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -167.99 157.39 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -133.79 175.19 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.5 -164.77 15.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.8 p -158.68 -179.83 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.358 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -69.76 178.13 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.75 -161.51 15.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.544 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.2 t -115.65 151.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 111.172 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 160.38 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.75 155.38 16.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -94.07 160.53 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -102.63 90.81 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.5 mt -99.03 149.15 35.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.588 0.708 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.75 15.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.6 153.0 26.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.73 -178.49 35.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 156.83 92.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.34 0.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.84 43.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 120.99 39.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 148.37 65.3 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.2 17.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.51 174.94 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.36 35.32 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.8 t -68.1 127.59 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.91 160.96 42.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -116.62 110.3 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -87.43 -75.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.37 135.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.19 145.25 19.03 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -43.45 -25.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 p -124.99 157.75 65.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.4 28.48 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' C ' HG22 ' A' ' 34' ' ' THR . . . -101.65 2.96 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.413 HG22 ' C ' ' A' ' 33' ' ' ALA . 67.1 p -141.26 163.25 33.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.0 pt -127.69 -176.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -130.12 99.16 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 t -83.99 105.19 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -97.7 141.88 30.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -147.72 -175.04 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -122.16 108.38 34.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.58 45.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -42.63 136.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 84.7 mt -110.39 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.466 ' C ' ' H ' ' A' ' 47' ' ' THR . 40.5 p -36.93 156.91 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 13.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 45' ' ' THR . 37.9 p -129.14 -7.36 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.63 61.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.2 mt -154.55 129.82 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 7.6 t -102.16 102.62 13.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 69.61 25.04 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.34 -11.44 67.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.93 162.47 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -100.51 85.88 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.431 ' CG2' ' CB ' ' A' ' 50' ' ' SER . 38.7 t -66.88 120.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -114.91 6.5 15.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.93 -177.88 31.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.422 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.8 m-85 -119.82 172.78 7.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.01 135.19 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.8 t -97.83 139.66 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 96' ' ' ARG . 83.4 m-85 -133.44 148.62 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.37 -73.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -121.49 43.19 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.95 8.82 63.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -128.18 114.98 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NH2' HD23 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -46.42 121.6 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.9 m -103.06 -24.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.62 165.89 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -161.8 123.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.58 122.3 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.8 mm -77.9 45.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.6 t80 -136.94 114.14 9.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -25.84 28.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.3 p -103.41 24.77 10.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.71 140.67 39.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -116.77 -2.18 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.1 m -164.82 141.73 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -145.3 143.61 30.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.12 141.85 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 81' ' ' GLU . 95.3 t -135.55 141.47 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.463 ' N ' HG12 ' A' ' 80' ' ' VAL . 5.0 mt-10 -77.29 126.79 31.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.68 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.68 -37.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 24.7 mtp85 -63.11 -19.92 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 89' ' ' GLU . 5.5 mt -89.58 -26.36 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -67.36 -59.86 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -46.33 -42.48 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 mt -91.74 -10.26 40.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 11.9 mt-10 58.6 35.77 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.68 127.8 33.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.1 12.85 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.43 153.41 23.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.88 174.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.405 ' C ' HG23 ' A' ' 95' ' ' VAL . 49.2 p -142.73 175.74 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.405 HG23 ' C ' ' A' ' 94' ' ' THR . 17.1 t -137.23 127.67 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.565 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 16.8 mtp180 -118.67 135.34 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 m -74.95 99.85 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.429 HD23 ' NH2' ' A' ' 66' ' ' ARG . 19.8 mt -69.78 141.31 53.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 p -149.34 179.81 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.68 -12.09 59.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -97.18 -34.32 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.21 19.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.72 154.12 28.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -99.94 175.43 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.83 162.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.88 125.77 30.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.2 p -59.36 -179.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.06 110.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.3 p -50.64 104.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.06 98.35 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.49 111.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 94.6 t -63.01 138.48 97.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.5 Cg_endo -69.81 142.76 48.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.62 37.22 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -74.25 -37.5 63.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.06 -29.84 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 25.1 mt -69.01 -38.0 78.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.452 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 11.6 p -81.77 136.67 47.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.79 165.77 29.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 128.69 16.43 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.4 t -79.32 140.71 56.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.55 0.69 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 170.75 15.82 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -49.6 136.36 18.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -25.69 28.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.5 m -59.55 126.59 28.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.78 155.24 9.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 129.25 17.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.8 m -79.0 -58.27 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.9 p -108.4 151.54 25.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -107.19 104.06 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -144.82 126.87 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.74 -44.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 m -40.69 144.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -95.51 -51.44 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.93 -86.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.56 177.37 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -103.93 153.16 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -127.82 154.57 45.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.8 p -53.57 126.85 23.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.66 79.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.56 152.52 34.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 120.49 7.27 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.15 151.77 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.5 -177.16 40.89 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.94 93.32 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.375 -0.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.74 43.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.83 121.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.04 66.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.9 11.82 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -143.33 -178.39 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.78 28.92 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG12 ' CB ' ' A' ' 110' ' ' ALA . 48.1 t -61.1 129.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -150.06 170.09 19.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.413 ' N ' ' OG1' ' A' ' 25' ' ' THR . 96.2 t -128.22 109.87 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -87.55 -76.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.53 143.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.435 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.93 142.16 15.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -38.24 -34.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -118.98 157.37 50.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.557 0.694 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.58 0.7 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.1 p -141.41 168.36 19.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.155 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.435 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 6.5 pt -133.5 177.41 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -122.07 95.2 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.6 t -80.64 101.66 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.65 160.21 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 8.8 p90 -167.7 -178.61 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -120.55 110.12 35.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.78 15.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.89 38.81 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -41.75 141.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.0 mt -117.3 134.35 54.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 33.6 p -37.25 157.41 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.4 Cg_endo -69.67 12.12 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 45' ' ' THR . 26.4 p -127.07 -13.59 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.67 63.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.9 mt -157.36 127.01 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -100.79 100.21 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 71.94 25.11 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.72 -8.37 71.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.81 155.0 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -94.14 86.57 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.451 HG11 ' CG2' ' A' ' 97' ' ' THR . 41.2 t -68.46 115.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.3 p -106.3 2.38 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' HA2' ' C ' ' A' ' 72' ' ' PHE . . . 155.64 -170.16 33.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.8 m-85 -120.58 173.24 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.999 0.428 . . . . 0.0 110.902 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.59 130.07 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.85 142.08 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE1' ' HD2' ' A' ' 96' ' ' ARG . 51.6 m-85 -133.38 144.03 49.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -133.53 104.78 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.5 mmpt? 69.6 28.02 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.21 21.46 49.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -136.48 118.76 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -58.6 128.46 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 84' ' ' ARG . 6.1 m -112.84 -28.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.52 168.85 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.68 123.3 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -110.79 121.76 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.7 mm -77.89 45.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.512 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 2.8 t80 -135.63 112.02 10.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -22.86 31.35 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.512 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 51.8 p -105.43 23.41 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.14 145.66 41.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.15 -0.02 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 p -172.75 142.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -141.0 163.82 31.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.8 145.83 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 81' ' ' GLU . 97.6 t -140.29 143.03 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.459 ' N ' HG11 ' A' ' 80' ' ' VAL . 7.4 mt-10 -79.51 123.72 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.1 -33.27 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 2.6 p -53.44 -39.58 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . 34.6 mtt85 -61.71 -21.67 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.2 mt -87.35 -24.61 24.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -70.19 -50.92 35.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -54.01 -39.79 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.83 -11.92 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.0 mt-10 60.8 32.81 20.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -72.47 120.9 18.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -92.18 21.74 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.38 156.51 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.15 162.96 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.8 p -133.46 164.56 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.2 t -123.76 127.26 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 55.5 mtt180 -117.43 130.69 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.451 ' CG2' HG11 ' A' ' 55' ' ' VAL . 2.5 m -72.22 105.96 4.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 25.1 mt -76.19 139.5 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 p -150.27 178.11 9.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.27 -19.84 60.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -87.26 -39.99 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.0 166.16 16.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -71.33 157.26 38.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.6 p -105.33 177.29 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.8 m -54.17 162.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.52 118.94 23.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 97.2 p -54.67 176.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.97 105.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 p -48.92 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 24' ' ' VAL . . . -83.47 99.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.14 111.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 90.5 t -65.4 138.84 97.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.71 144.85 55.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.96 35.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.53 -31.46 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.93 -34.87 17.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.85 -37.24 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.2 p -85.66 124.96 70.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 161.24 46.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.53 23.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.631 2.22 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.0 t -151.69 140.52 13.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.608 0.718 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.57 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -146.34 147.33 30.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.75 61.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.619 2.212 . . . . 0.0 112.385 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.8 m -137.07 172.98 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 140.36 95.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.21 4.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.333 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 37.4 p -107.79 150.47 26.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 83.0 p -175.02 126.54 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -153.82 163.27 40.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 m -161.54 165.4 28.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.78 175.89 22.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -165.95 177.6 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.2 p -148.85 166.65 27.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.44 -172.97 34.36 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.99 131.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -123.79 156.08 36.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -63.1 155.15 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -70.55 86.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -125.16 112.44 16.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 mt -95.77 137.6 21.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.721 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.64 35.93 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.11 150.87 26.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 68.98 172.07 7.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.501 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.76 156.82 92.61 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.359 0.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 137.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 117.79 11.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 149.46 66.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.48 14.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -143.51 -178.52 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 55.98 37.52 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.15 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.28 167.46 26.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -124.83 114.46 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -94.27 -75.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.49 136.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.34 141.02 16.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 55.8 t -35.24 -31.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.6 p -115.2 157.04 44.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.53 21.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.68 7.02 30.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.1 p -137.63 172.12 13.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 5.7 pt -136.81 171.19 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -118.05 100.93 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.86 99.41 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -94.46 142.51 27.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.505 ' CE3' HG23 ' A' ' 95' ' ' VAL . 19.8 p90 -149.78 -176.59 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -116.55 106.06 49.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 127.1 14.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 141.49 45.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -45.68 141.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 89.5 mt -116.53 132.28 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.465 ' C ' ' H ' ' A' ' 47' ' ' THR . 30.7 p -37.47 157.84 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.586 0.708 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.457 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 13.44 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.465 ' H ' ' C ' ' A' ' 45' ' ' THR . 80.7 p -128.05 -14.17 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 105.69 58.6 0.64 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.441 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 16.4 mt -155.72 130.8 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.479 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 18.7 t -83.54 -71.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -114.12 32.12 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.67 -16.2 48.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -99.83 156.63 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 99' ' ' SER . 3.6 m120 -83.5 105.03 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 97' ' ' THR . 96.5 t -83.03 114.63 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -101.64 -13.68 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.86 -167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 97.3 m-85 -123.74 174.46 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.33 135.76 6.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.4 t -100.14 135.95 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 33.4 m-85 -132.42 156.48 46.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -124.3 -69.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -123.02 44.58 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.07 63.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.425 ' NE2' HD21 ' A' ' 88' ' ' LEU . 49.1 mt-30 -132.68 113.72 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -50.35 107.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -85.98 -30.74 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.32 168.63 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -163.87 124.75 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.75 122.33 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.0 mm -77.83 45.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.446 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 3.1 t80 -134.52 116.84 13.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -29.77 23.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.715 2.277 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.5 p -103.61 28.65 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 72' ' ' PHE . . . -83.16 132.52 35.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -115.51 13.57 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.6 p -172.97 130.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 t -139.34 143.52 37.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' HG21 ' A' ' 80' ' ' VAL . . . -78.39 145.05 35.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 81' ' ' GLU . 92.4 t -140.27 140.51 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 80' ' ' VAL . 11.9 mt-10 -75.08 127.09 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.45 HD21 ' CG2' ' A' ' 35' ' ' ILE . 46.0 mt -72.79 -32.58 65.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.6 p -54.99 -41.15 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 40.4 mtp85 -58.03 -28.42 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.95 -22.73 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 3.5 mmm180 -72.74 -56.83 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.87 -39.86 27.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.425 HD21 ' NE2' ' A' ' 65' ' ' GLN . 4.0 mt -92.27 -18.08 23.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 66.07 37.56 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.418 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -81.53 128.41 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -99.12 22.7 10.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.75 157.92 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' HG21 ' A' ' 94' ' ' THR . 15.1 m -130.67 175.16 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.411 HG21 ' C ' ' A' ' 93' ' ' VAL . 44.2 p -145.81 174.09 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.505 HG23 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.73 126.75 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.514 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 24.5 mtp180 -117.9 133.23 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.7 m -74.23 103.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.426 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 21.5 mt -76.45 140.61 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 12.5 p -154.5 167.15 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.0 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -74.57 -47.66 31.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.64 159.11 12.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -72.48 164.0 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.4 p -114.54 171.08 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.42 172.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.6 124.75 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.8 p -55.8 178.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.88 113.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -52.58 104.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.72 98.96 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.94 111.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 88.4 t -66.35 136.9 95.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.457 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 54.0 Cg_endo -69.79 145.61 57.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.25 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.25 28.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.31 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -63.72 -37.34 86.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 113' ' ' PRO . 58.9 mt -81.0 -34.79 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.37 -40.47 95.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.6 p -82.32 133.33 50.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.06 53.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.55 24.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.2 t -102.74 140.88 21.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 107.83 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.415 ' ND1' ' HD2' ' A' ' 124' ' ' PRO . 83.7 t60 -86.03 133.84 40.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 123' ' ' HIS . 54.1 Cg_endo -69.75 163.06 39.67 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.7 p -150.76 155.56 39.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.93 -167.48 16.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 110.37 2.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.0 t -159.59 142.61 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.4 p -153.27 160.8 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.541 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -152.22 160.49 43.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -55.41 169.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.75 -94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -153.02 119.92 5.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -111.73 168.44 9.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.86 -165.95 28.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' GLU . 92.4 t -130.43 111.91 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' VAL . 19.3 mt-10 -37.28 155.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -83.15 99.48 9.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 t -126.88 138.52 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.9 p -88.63 85.89 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.8 mt -112.79 147.34 36.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 126.21 13.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.37 138.38 11.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.31 177.33 9.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.53 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.59 87.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.34 0.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.58 25.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.06 119.69 7.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.703 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 153.08 69.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 169.98 17.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.85 179.35 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.05 39.41 29.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.0 t -71.57 133.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.24 169.43 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.6 t -128.12 112.42 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' O ' ' CD1' ' A' ' 116' ' ' LEU . 34.3 mm-40 -90.96 -76.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.23 137.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -87.74 140.56 16.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.4 t -33.41 -34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.9 p -115.41 157.99 42.61 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.09 -0.87 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.1 p -134.16 162.34 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 3.3 pt -127.49 167.65 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -113.76 103.02 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 t -87.28 102.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.3 162.17 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 p90 -172.79 177.3 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -116.59 111.2 41.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 127.21 14.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 142.51 48.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.1 t -47.85 143.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 88.1 mt -119.43 132.23 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.476 ' C ' ' H ' ' A' ' 47' ' ' THR . 27.4 p -37.56 158.02 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.572 0.701 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.75 13.97 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.476 ' H ' ' C ' ' A' ' 45' ' ' THR . 47.2 p -126.02 -15.42 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 106.09 56.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 15.5 mt -156.19 132.87 10.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 5.3 t -83.43 -64.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -124.99 34.83 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.86 -17.15 42.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.61 165.93 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -97.4 93.43 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.73 112.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.1 p -106.52 7.5 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.66 179.52 23.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.429 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -112.87 172.0 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 110.881 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.13 126.86 2.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.7 t -91.86 139.05 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 111.114 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -128.43 153.65 46.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.08 105.9 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 68.03 34.56 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 27.49 56.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -143.94 120.21 10.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 17.7 ttp-105 -60.24 127.61 32.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.85 -33.67 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.27 177.36 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -169.96 120.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 p -109.19 120.17 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.7 mm -77.29 45.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.431 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 2.8 t80 -135.44 114.09 11.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -27.45 26.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.431 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.7 p -101.7 24.66 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.95 148.37 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -123.16 -7.52 8.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -165.57 139.76 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -140.79 149.76 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.99 146.77 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 81' ' ' GLU . 91.5 t -141.72 142.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.454 ' N ' HG11 ' A' ' 80' ' ' VAL . 11.9 mt-10 -76.5 122.55 24.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HA ' ' CD1' ' A' ' 85' ' ' LEU . 9.2 mt -68.15 -32.67 73.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.9 p -52.09 -39.78 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -61.97 -25.21 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 89' ' ' GLU . 3.5 mt -83.59 -24.56 31.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -70.77 -55.47 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -50.54 -38.21 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 mt -95.3 -13.31 24.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.6 mt-10 60.45 38.02 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.19 122.08 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -91.37 25.23 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.55 160.18 24.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -130.03 167.89 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.4 ' C ' HG21 ' A' ' 95' ' ' VAL . 25.9 p -138.54 171.71 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG21 ' C ' ' A' ' 94' ' ' THR . 19.1 t -134.19 127.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -117.4 132.9 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.0 m -72.78 102.69 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.3 mt -73.28 142.76 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.0 p -149.46 -179.76 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.68 43.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -88.06 -42.51 12.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.88 147.93 5.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.1 177.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.1 p -115.71 -179.16 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.89 174.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.89 120.84 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.9 p -56.98 177.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.6 110.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.4 104.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.03 98.42 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.77 113.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.5 t -66.62 133.87 94.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.405 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 53.8 Cg_endo -69.81 145.74 57.81 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.8 32.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.71 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 27' ' ' GLN . 87.3 mt -91.24 -33.74 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 21.7 mt -63.27 -40.73 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.433 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 6.2 p -75.48 137.5 71.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.582 0.706 . . . . 0.0 111.184 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.75 154.78 67.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.1 58.11 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.26 . . . . 0.0 112.326 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.1 t -41.2 141.01 1.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.506 0.67 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.97 13.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.773 2.315 . . . . 0.0 112.336 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.568 ' CD2' ' HD2' ' A' ' 124' ' ' PRO . 12.5 t-80 -166.46 138.1 2.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.568 ' HD2' ' CD2' ' A' ' 123' ' ' HIS . 53.9 Cg_endo -69.8 129.1 16.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -164.55 123.28 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -105.24 -172.26 24.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.553 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 174.9 8.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.0 p -141.94 158.37 43.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 m -73.45 -56.26 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -75.58 152.34 37.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -81.99 115.81 21.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.16 -76.89 0.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m 48.52 41.9 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -61.52 164.89 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.54 -56.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 9' ' ' GLU . 7.4 p -136.91 141.21 41.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' N ' HG22 ' A' ' 8' ' ' VAL . 64.2 mt-10 -101.43 106.91 18.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -74.16 123.13 23.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.6 m -135.21 133.04 38.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -76.82 89.04 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mp -52.05 154.19 4.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 131.39 21.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.41 156.14 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.091 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 62.54 170.66 1.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.424 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.82 150.04 89.67 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.78 41.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.51 118.74 17.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 147.79 63.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.74 18.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -141.57 -176.29 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 54.5 36.85 26.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.47 125.07 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.15 155.19 42.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.8 t -110.78 108.28 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -86.03 -75.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 135.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.01 141.73 18.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.47 -24.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.927 0.394 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLY . 5.2 p -120.83 156.71 56.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.72 12.57 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.95 3.29 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -133.41 169.21 17.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.45 ' CG2' HD22 ' A' ' 82' ' ' LEU . 4.2 pt -134.68 168.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -117.95 100.89 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.88 100.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -93.67 140.99 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.45 ' CE3' HG23 ' A' ' 95' ' ' VAL . 22.4 p90 -148.08 -175.23 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -121.4 105.71 38.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.85 20.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.71 45.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 44' ' ' LEU . 58.2 t -48.56 136.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 89.5 mt -109.9 131.06 55.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.487 ' C ' ' H ' ' A' ' 47' ' ' THR . 32.7 p -37.54 158.03 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.7 15.89 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.487 ' H ' ' C ' ' A' ' 45' ' ' THR . 81.6 p -127.26 -16.72 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 107.41 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 14.6 mt -156.42 135.81 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.425 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.5 t -88.44 -71.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 17' ' ' PRO . 52.6 t-20 -112.66 21.77 15.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.13 -18.44 11.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.62 168.42 10.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -97.11 96.74 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.428 HG11 ' CG2' ' A' ' 97' ' ' THR . 49.0 t -67.02 113.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -108.64 7.57 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.66 179.98 26.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -118.31 175.86 5.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.36 131.84 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -96.94 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 111.162 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CG ' ' NH1' ' A' ' 96' ' ' ARG . 26.9 m-85 -138.96 150.76 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB2' ' CB ' ' A' ' 90' ' ' ALA . . . -113.04 -71.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -119.25 46.76 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.35 12.39 73.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -128.88 113.48 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 15.6 ttp-105 -46.75 116.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -99.62 -29.31 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.36 165.17 33.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.7 124.22 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.17 122.36 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.6 mm -78.71 44.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.6 t80 -135.28 114.34 11.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.27 29.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.2 p -104.15 23.01 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.81 134.96 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.65 7.78 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.4 p -170.46 133.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.04 152.87 49.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.31 27.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 81' ' ' GLU . 86.9 t -137.86 141.48 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' N ' HG12 ' A' ' 80' ' ' VAL . 5.7 mt-10 -75.38 127.65 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.45 HD22 ' CG2' ' A' ' 35' ' ' ILE . 58.5 mt -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.56 -38.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -60.16 -28.04 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.38 -21.74 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -71.22 -56.32 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.1 -40.25 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mt -90.15 -15.7 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 62.61 36.24 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -78.77 129.39 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.99 20.07 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.41 155.25 23.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.417 ' C ' HG22 ' A' ' 94' ' ' THR . 12.1 m -131.33 174.83 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.417 HG22 ' C ' ' A' ' 93' ' ' VAL . 45.1 p -144.68 175.67 10.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' CE3' ' A' ' 39' ' ' TRP . 15.2 t -133.88 125.79 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.577 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 32.0 mtt85 -113.79 139.27 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.428 ' CG2' HG11 ' A' ' 55' ' ' VAL . 4.3 m -80.53 108.99 14.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.12 139.22 34.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.3 p -152.86 170.19 20.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.51 -26.87 67.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.479 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.91 -155.53 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -109.44 169.81 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 p -120.55 166.58 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.2 m -45.15 160.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.417 ' HB3' ' NH2' ' A' ' 96' ' ' ARG . 0.2 OUTLIER -81.0 128.67 33.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.0 p -59.76 179.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.96 110.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.34 105.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.27 97.85 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.77 109.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 85.6 t -63.76 137.44 97.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.467 ' CG ' HD13 ' A' ' 116' ' ' LEU . 53.8 Cg_endo -69.69 145.26 57.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.86 30.27 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.59 -36.77 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 113' ' ' PRO . 68.6 mt -82.77 -29.19 29.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.94 -37.1 78.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.445 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 7.6 p -85.35 137.48 36.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.445 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.2 Cg_endo -69.73 169.06 19.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.0 32.47 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.8 t -138.47 141.94 33.05 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.58 0.705 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 159.29 53.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.31 120.13 74.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 146.4 59.78 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.2 p -153.08 155.78 37.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.19 -95.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 107.13 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.339 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.1 p -85.84 118.85 25.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.1 p -83.39 140.99 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -88.18 142.98 27.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.5 m -129.25 157.67 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.05 120.23 18.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -156.41 168.28 27.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -53.54 157.74 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.46 -145.97 8.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.8 t -123.86 119.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.72 174.23 7.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -106.21 50.46 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 m -108.54 -44.05 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -53.68 114.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 mt -53.73 153.29 8.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 137.27 35.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 154.88 33.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.53 177.74 27.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.31 93.27 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.348 0.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 118.81 5.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.2 66.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.734 2.29 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 172.06 13.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -144.14 -179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 60.41 33.4 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.1 127.42 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.98 158.84 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.3 t -115.12 112.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -91.81 -75.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.87 134.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.445 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -84.53 145.69 22.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -40.44 -30.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -119.17 157.57 50.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.03 3.99 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 63.5 p -137.45 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.445 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 5.2 pt -137.57 174.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -123.4 99.4 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -83.05 100.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -93.22 141.69 28.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CE3' HG23 ' A' ' 95' ' ' VAL . 17.9 p90 -149.39 -175.44 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -121.3 106.2 38.49 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.05 18.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.34 54.07 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.711 2.274 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.62 141.26 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 94.6 mt -114.36 133.53 55.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.48 ' C ' ' H ' ' A' ' 47' ' ' THR . 24.5 p -37.55 158.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.7 14.98 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.48 ' H ' ' C ' ' A' ' 45' ' ' THR . 66.9 p -127.65 -20.26 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 112.57 55.48 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 16.5 mt -155.76 129.84 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.3 t -82.68 -71.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -114.65 27.76 9.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.75 25.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.45 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -92.85 94.53 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.87 124.07 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.5 p -118.08 4.66 12.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 98' ' ' LEU . . . 156.59 -174.28 34.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -121.87 173.42 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.06 133.8 5.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 80' ' ' VAL . 60.0 t -99.74 131.52 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -129.97 150.87 51.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -116.17 -67.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 65' ' ' GLN . 9.0 mmpt? -124.93 44.6 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.44 13.39 68.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 63' ' ' LYS . 4.2 mp0 -128.22 113.28 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -50.84 108.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' A' ' 80' ' ' VAL . 21.5 m -89.2 -38.84 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.12 165.95 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.32 123.03 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.97 122.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.31 45.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . 2.9 t80 -133.51 115.54 13.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.71 0.767 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -28.83 24.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 p -104.11 28.5 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.498 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -83.26 133.32 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.67 11.0 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.808 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p -171.1 137.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 t -143.89 155.16 43.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' C ' HG23 ' A' ' 80' ' ' VAL . . . -88.62 145.18 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 67' ' ' VAL . 85.5 t -141.37 137.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 80' ' ' VAL . 5.7 mt-10 -72.91 128.3 35.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD23 ' CG2' ' A' ' 35' ' ' ILE . 51.8 mt -74.45 -31.0 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.7 p -56.21 -42.38 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 47.3 mtp85 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 89' ' ' GLU . 9.5 mt -80.26 -27.07 38.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -68.2 -59.29 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -49.9 -40.19 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt -88.85 -17.92 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' LEU . 34.8 mt-10 64.48 38.04 7.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -80.5 126.67 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -98.44 26.37 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.15 158.53 22.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.34 171.64 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.4 p -144.88 168.61 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.546 HG23 ' CE3' ' A' ' 39' ' ' TRP . 14.6 t -130.82 128.51 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -118.72 135.34 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 m -74.46 108.46 7.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 39.0 mt -82.06 139.66 34.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -150.79 175.86 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.34 67.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.68 -43.16 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.24 -153.59 23.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -110.48 173.68 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 p -122.45 170.19 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -47.97 164.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.91 122.55 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.8 p -56.7 178.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.19 108.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.11 104.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.58 98.32 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.4 113.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 84.3 t -65.82 138.62 96.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.8 145.61 57.46 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -22.47 31.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.5 pt-20 -70.97 -36.09 72.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.449 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 80.7 mt -80.0 -37.09 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.84 -33.76 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.2 p -87.35 128.44 55.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.706 0.765 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 154.81 67.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.733 2.289 . . . . 0.0 112.312 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.87 61.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 122' ' ' PRO . 41.2 m -110.62 137.48 20.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.528 0.68 . . . . 0.0 111.202 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 121' ' ' THR . 54.0 Cg_endo -69.71 -46.89 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.672 2.248 . . . . 0.0 112.401 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -69.99 118.4 63.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -177.6 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 96.4 p -138.09 110.95 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.54 -101.05 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.47 4.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 68.7 p -171.65 106.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.0 p -59.45 153.77 18.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -53.15 155.93 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m -111.28 -46.43 3.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.61 171.18 21.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -121.51 145.82 47.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.946 0.403 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -58.14 155.87 10.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.82 125.05 29.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.6 116.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -97.78 102.6 14.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.32 167.29 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.3 m -104.17 -57.12 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p 45.32 40.22 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 mt -49.01 150.39 2.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.731 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 130.11 18.81 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.27 134.13 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.24 177.63 46.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 155.04 93.54 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.303 0.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 137.06 34.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.21 119.28 16.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.521 0.677 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.32 69.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 175.5 8.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -146.87 179.43 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 58.33 30.02 18.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.06 127.64 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.33 166.27 28.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.4 t -120.28 112.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -91.73 -75.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.48 136.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.72 147.18 21.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -40.62 -25.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.414 . . . . 0.0 111.179 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.2 p -126.02 158.81 64.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.59 0.709 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.04 6.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.34 4.0 18.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.9 p -138.25 173.13 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD23 ' A' ' 82' ' ' LEU . 9.6 pt -134.69 176.51 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -125.38 96.8 4.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.53 98.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 m -92.9 140.32 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 17.0 p90 -150.04 -177.08 5.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -118.51 107.8 42.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 128.72 16.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.91 49.13 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.52 144.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.6 mt -119.26 130.4 55.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 47' ' ' THR . 36.0 p -37.61 157.68 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.76 14.11 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.478 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.7 p -128.03 -8.0 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.506 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 97.14 61.55 0.94 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 24.0 mt -158.0 126.66 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 43.4 t -76.06 -75.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -113.84 30.12 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 -14.15 33.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.07 156.98 17.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -85.09 98.19 10.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 97' ' ' THR . 50.2 t -76.26 120.94 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.72 -12.87 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.54 -166.68 39.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -122.85 173.98 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.93 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.2 129.63 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -94.33 140.48 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -131.27 156.07 46.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -148.77 105.0 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? 68.62 31.74 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.9 26.61 48.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -142.5 117.68 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 19.0 ttp-105 -58.9 127.95 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG11 ' CB ' ' A' ' 84' ' ' ARG . 7.2 m -105.95 -24.46 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -159.04 173.35 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -165.56 122.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -107.18 123.15 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 32.5 mm -79.8 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.527 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.2 t80 -132.67 115.12 14.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -27.98 25.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.527 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 76.0 p -102.93 26.01 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.39 136.72 36.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -116.82 8.32 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.3 p -169.25 136.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -140.34 146.24 38.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.32 144.55 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 81' ' ' GLU . 98.5 t -142.68 141.45 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' N ' HG11 ' A' ' 80' ' ' VAL . 6.1 mt-10 -75.11 126.64 31.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD23 ' CG2' ' A' ' 35' ' ' ILE . 50.9 mt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.482 ' HA ' ' CG ' ' A' ' 86' ' ' ARG . 5.2 p -53.25 -43.55 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 50.9 mtp85 -54.62 -37.51 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.87 -13.41 61.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.482 ' CG ' ' HA ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -83.35 -54.24 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -51.4 -28.9 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 mt -105.46 -13.02 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 63.45 36.78 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.83 125.98 30.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -97.0 23.52 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.6 161.11 28.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 m -130.59 166.06 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.403 ' C ' HG23 ' A' ' 95' ' ' VAL . 26.9 p -137.0 168.81 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.403 HG23 ' C ' ' A' ' 94' ' ' THR . 10.8 t -133.39 123.33 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -115.51 133.27 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.433 ' CG2' HG13 ' A' ' 55' ' ' VAL . 5.5 m -72.74 112.37 8.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 138.61 32.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.3 p -148.37 166.12 29.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.16 -30.39 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -77.53 -45.15 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.97 -152.76 20.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -112.37 170.05 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 105' ' ' VAL . 3.3 t -116.19 174.68 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.413 ' N ' ' OG ' ' A' ' 104' ' ' SER . 32.5 m -54.58 163.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.51 120.62 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.5 p -57.81 175.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.44 113.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.44 104.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.54 98.02 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.13 111.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 93.9 t -67.97 138.44 92.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.73 144.11 53.13 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -17.62 37.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.326 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.86 -37.53 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.41 HD12 ' CG ' ' A' ' 113' ' ' PRO . 76.8 mt -78.81 -30.88 45.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.412 HD22 ' NH2' ' A' ' 86' ' ' ARG . 46.2 mt -66.19 -40.97 90.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 p -81.19 131.67 58.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 168.29 21.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.52 45.62 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.3 t -71.11 139.83 85.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.6 16.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.67 150.62 93.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -30.97 21.45 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -61.62 139.51 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -116.64 80.2 0.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 178.23 4.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.4 p -40.84 118.33 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.8 p -157.51 139.0 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -130.9 102.83 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -106.99 92.14 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.23 60.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -57.99 130.95 48.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.812 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -128.12 151.98 48.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' OE1' ' A' ' 9' ' ' GLU . . . -141.18 -140.12 3.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.519 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 m -69.84 82.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 7' ' ' GLY . 21.2 mp0 -142.64 135.78 28.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -82.72 43.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 m -102.88 160.31 14.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -38.03 109.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.2 141.69 40.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 132.48 23.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.55 125.36 21.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 82.07 173.33 48.57 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.3 Cg_endo -69.72 151.68 91.54 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.334 0.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.75 36.16 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.9 117.15 8.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 149.58 67.59 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 171.33 14.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -142.9 -177.12 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 54.24 35.72 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.3 t -68.19 129.14 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.71 169.68 19.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.412 ' N ' ' OG1' ' A' ' 25' ' ' THR . 76.2 t -123.24 110.04 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -88.33 -75.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.25 138.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -90.54 142.44 16.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -38.98 -29.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 29' ' ' GLY . 6.3 p -119.07 156.62 52.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -3.4 11.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.15 -5.11 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.2 p -131.22 167.92 18.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 7.5 pt -131.93 179.43 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -125.64 104.59 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.72 102.45 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -95.0 139.05 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.481 ' CE3' HG23 ' A' ' 95' ' ' VAL . 21.4 p90 -147.13 -178.61 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -117.21 105.04 49.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.23 17.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 138.72 38.54 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.76 134.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.2 mt -107.08 135.69 48.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.47 ' C ' ' H ' ' A' ' 47' ' ' THR . 23.6 p -42.21 158.5 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.75 13.16 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.47 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.8 p -127.53 -11.69 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.507 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 101.19 62.11 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 18.1 mt -157.36 128.45 6.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 31.4 t -79.73 -69.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -118.83 32.73 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.49 -11.89 47.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.556 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.39 155.0 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.406 ' C ' ' HB2' ' A' ' 99' ' ' SER . 4.0 m120 -82.46 91.51 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.3 119.98 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.45 -13.62 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.45 -164.26 36.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 89.4 m-85 -124.89 173.9 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.55 129.23 3.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 47.7 t -94.13 143.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -139.17 149.72 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -118.32 -73.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -118.98 46.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 14.25 70.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -131.88 113.3 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 39.3 ttp180 -47.88 114.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.99 -31.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.29 165.75 33.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 10.2 pt-20 -162.69 124.37 2.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -110.38 123.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.0 mm -77.84 46.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.534 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.2 t80 -135.63 114.7 11.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.31 26.64 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.9 p -103.2 25.15 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.26 137.9 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.01 11.23 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.1 p -172.19 129.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.15 153.54 50.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 144.28 27.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.474 HG11 ' N ' ' A' ' 81' ' ' GLU . 50.9 t -138.44 142.76 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.474 ' N ' HG11 ' A' ' 80' ' ' VAL . 3.9 mt-10 -80.59 124.81 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.4 mt -71.53 -31.18 66.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.3 p -56.76 -41.25 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 7.5 mtp-105 -59.55 -24.32 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 89' ' ' GLU . 6.8 mt -83.4 -26.48 30.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -67.61 -57.64 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -49.29 -38.65 28.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mt -92.2 -18.16 23.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' LEU . 30.1 mt-10 65.39 38.07 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.434 ' CB ' ' HB1' ' A' ' 62' ' ' ALA . . . -81.75 126.82 32.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -98.16 18.81 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.73 158.05 30.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.7 170.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.6 p -143.04 173.56 11.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.481 HG23 ' CE3' ' A' ' 39' ' ' TRP . 14.2 t -136.1 131.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -123.32 131.57 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.427 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.2 m -73.12 111.0 7.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.06 141.15 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.406 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 97.8 p -151.06 179.3 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.78 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -73.93 -47.77 35.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.78 -136.59 4.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -122.31 170.04 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 t -118.31 171.59 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -52.28 163.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.59 122.96 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.2 p -57.43 -178.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.09 112.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.068 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.2 105.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.69 98.14 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.54 111.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.456 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 94.1 t -65.32 138.03 96.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.456 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.3 Cg_endo -69.74 145.12 56.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.04 36.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -74.15 -35.5 64.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.6 mt -80.57 -33.67 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.3 mt -65.13 -30.77 71.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.6 p -90.49 133.9 32.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.147 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 165.09 32.14 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.258 . . . . 0.0 112.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.22 54.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 122' ' ' PRO . 91.1 m -142.46 139.09 17.04 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.563 0.697 . . . . 0.0 111.181 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 121' ' ' THR . 54.2 Cg_endo -69.69 -47.45 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.386 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -103.9 133.6 20.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.653 0.739 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.714 2.276 . . . . 0.0 112.4 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.7 m -72.52 105.39 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 177.91 135.96 2.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.09 3.81 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.8 p 60.41 43.23 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.2 m 51.67 39.3 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -149.19 131.89 15.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -118.22 167.65 11.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.03 66.06 0.55 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -169.96 143.49 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.909 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -85.57 -46.38 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 103.93 -108.98 3.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.6 p 34.29 38.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -110.1 107.87 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 52.88 42.54 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 m -77.17 135.89 38.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -79.78 98.99 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.24 143.84 98.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.594 0.711 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 140.98 44.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.5 146.11 45.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 63.22 171.42 1.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.421 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.82 148.56 87.11 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.342 0.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.86 43.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.05 119.77 24.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.24 66.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.84 13.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -144.28 178.14 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 62.68 25.68 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.0 t -58.29 127.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 165.39 31.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -121.29 113.71 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.07 -75.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.93 138.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.6 141.07 16.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLY . 65.3 t -37.89 -29.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.5 p -119.91 158.19 50.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.564 0.697 . . . . 0.0 111.167 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.53 16.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.9 8.13 26.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.8 p -140.66 171.76 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.454 ' CG2' HD21 ' A' ' 82' ' ' LEU . 7.0 pt -135.58 179.3 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -128.12 100.63 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.36 99.07 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -91.87 145.38 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.412 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.1 p90 -152.06 -175.12 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -120.97 104.72 41.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.8 15.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.1 69.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.2 136.62 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 81.8 mt -110.12 131.62 54.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 47' ' ' THR . 32.4 p -37.44 157.65 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.547 0.689 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 14.21 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.389 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.482 ' H ' ' C ' ' A' ' 45' ' ' THR . 64.0 p -127.06 -11.39 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.508 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 101.49 59.27 0.79 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 14.9 mt -156.5 135.19 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.436 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 10.8 t -85.46 -72.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -114.38 20.36 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.15 -11.37 11.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.97 161.58 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -87.56 94.68 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 97' ' ' THR . 57.9 t -68.15 111.51 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.5 p -104.73 -5.32 21.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.6 -174.34 38.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.9 m-85 -117.66 174.55 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.85 132.76 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 28.7 t -100.14 138.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.445 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 90.4 m-85 -137.07 154.43 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -121.17 -70.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.6 mmpt? -122.06 46.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.74 9.37 71.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -129.52 113.61 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 30.8 ttp180 -50.76 112.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 m -87.43 -26.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.13 176.37 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -169.27 131.88 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.18 123.18 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 21.8 mm -79.05 45.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.538 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.5 t80 -135.43 113.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -23.95 29.88 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.0 p -104.81 24.11 12.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.5 145.72 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.72 -1.42 10.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.3 m -168.18 138.51 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 t -139.41 143.04 37.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.07 143.75 39.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.43 HG12 ' N ' ' A' ' 81' ' ' GLU . 87.4 t -139.53 140.85 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' N ' HG12 ' A' ' 80' ' ' VAL . 4.1 mt-10 -75.13 130.01 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 ' CG2' ' A' ' 35' ' ' ILE . 60.6 mt -75.98 -28.78 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.35 -37.78 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.7 mtp85 -62.3 -21.07 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 89' ' ' GLU . 5.2 mt -88.98 -26.05 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -67.1 -54.5 20.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.64 -36.98 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.6 mt -94.1 -14.29 25.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' LEU . 39.4 mt-10 62.33 37.12 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -80.16 133.45 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -105.57 15.02 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.69 153.65 23.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.59 168.55 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.7 p -137.78 168.43 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.412 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.8 t -131.88 119.22 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -112.14 132.44 54.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.406 ' CG2' HG11 ' A' ' 55' ' ' VAL . 5.3 m -70.4 112.38 6.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.8 mt -84.15 145.66 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.1 p -157.17 168.25 27.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.91 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.1 mp0 -72.75 -44.35 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.66 -153.37 22.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -109.98 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -120.35 175.23 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.6 m -55.4 162.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.73 122.55 27.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 85.9 p -58.8 175.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 103.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.6 p -45.05 104.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.69 98.47 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.1 112.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.84 136.52 96.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.81 55.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -15.06 36.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -77.02 -35.89 56.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.11 -35.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.56 -27.53 64.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 1.7 t -75.74 138.46 70.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 162.31 42.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.65 69.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 122' ' ' PRO . 58.8 m -118.73 137.7 25.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.548 0.689 . . . . 0.0 111.155 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 121' ' ' THR . 53.5 Cg_endo -69.77 146.18 59.34 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -80.57 143.52 55.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -30.59 22.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 m -77.56 117.29 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.84 -89.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 70.2 m -93.89 97.62 10.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.2 t -78.06 -46.14 21.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.533 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -47.68 -61.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 53.71 42.22 31.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.16 94.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -109.6 87.22 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t 51.57 42.31 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.71 178.83 25.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.7 p -114.56 133.4 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -97.81 175.78 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 21.1 p90 -106.74 119.37 39.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 m -98.48 118.06 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 p -111.09 103.63 12.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.37 156.8 81.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 110.933 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 114.83 3.83 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.88 155.37 31.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.54 -178.57 41.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.29 91.36 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.318 0.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 142.11 47.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 118.67 32.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 54.0 Cg_endo -69.74 147.55 63.23 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -142.91 -175.07 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.19 34.92 21.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -66.55 134.71 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -153.65 169.44 23.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' N ' ' OG1' ' A' ' 25' ' ' THR . 87.4 t -126.71 111.92 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.7 -75.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.84 138.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -89.47 140.17 15.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 62.1 t -35.06 -31.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -115.75 157.18 45.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.43 16.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.264 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.97 5.72 24.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.2 p -135.99 171.5 14.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 4.7 pt -137.2 169.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -117.38 100.94 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.7 t -83.35 99.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -92.77 141.06 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.481 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 23.4 p90 -147.92 -178.9 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -117.11 107.46 45.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.7 13.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.94 36.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -40.34 142.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 96.2 mt -117.21 134.93 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.467 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 25.9 p -37.91 158.02 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.578 0.704 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.467 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.78 12.13 0.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.452 ' H ' ' C ' ' A' ' 45' ' ' THR . 42.5 p -126.79 -15.32 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.3 61.31 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.0 mt -154.34 131.7 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.477 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 2.6 t -103.77 98.44 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 71.52 24.99 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.37 -10.09 65.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.05 155.01 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -94.18 85.95 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 50' ' ' SER . 48.9 t -66.09 114.37 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.6 p -112.65 3.0 16.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.43 178.93 32.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -117.89 173.67 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.945 0.403 . . . . 0.0 110.958 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.87 137.2 6.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.1 t -101.2 140.16 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -133.79 141.83 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -110.65 -72.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 90' ' ' ALA . 23.4 mmmt -119.74 46.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.14 16.95 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -134.5 112.13 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' CZ ' ' OE1' ' A' ' 69' ' ' GLU . 35.1 ttp180 -48.05 119.86 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG21 ' N ' ' A' ' 68' ' ' ALA . 14.1 m -101.38 -35.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.419 ' N ' HG21 ' A' ' 67' ' ' VAL . . . -144.56 165.28 28.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE1' ' CZ ' ' A' ' 66' ' ' ARG . 6.2 pt-20 -160.78 126.04 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -111.91 121.0 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.9 mm -78.3 44.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.544 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.9 t80 -133.02 115.27 14.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.87 28.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.544 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 13.2 p -104.15 23.83 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.32 135.42 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -119.45 10.48 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.0 p -172.58 130.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -137.61 156.11 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.92 145.88 25.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 81' ' ' GLU . 91.4 t -143.13 139.39 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' N ' HG11 ' A' ' 80' ' ' VAL . 5.7 mt-10 -73.8 127.94 34.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.441 HD22 ' CG2' ' A' ' 35' ' ' ILE . 47.1 mt -74.61 -31.63 62.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.95 -38.85 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.7 mtt-85 -60.01 -29.17 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.9 mt -79.83 -21.72 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -71.11 -55.5 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.77 -39.59 58.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mt -90.87 -17.6 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.0 mt-10 64.68 36.1 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 63' ' ' LYS . . . -73.99 134.02 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -103.91 14.97 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.32 156.11 24.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.0 m -127.82 167.28 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.42 ' C ' HG22 ' A' ' 95' ' ' VAL . 31.1 p -137.99 174.99 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.42 HG22 ' C ' ' A' ' 94' ' ' THR . 17.6 t -135.34 122.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -113.48 133.4 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.439 ' CG2' HG11 ' A' ' 55' ' ' VAL . 2.4 m -73.54 110.8 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -84.81 144.29 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.9 p -155.81 -179.34 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -72.97 -50.67 21.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.97 -144.82 8.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -115.35 161.42 18.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.6 p -111.76 171.12 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.447 ' CG2' ' HG3' ' A' ' 20' ' ' PRO . 34.1 m -47.4 164.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.75 124.92 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.8 p -58.6 176.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.72 109.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.9 p -51.97 104.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.76 98.27 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.16 113.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 59.2 t -66.5 137.28 95.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.447 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.72 145.95 58.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.393 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -25.57 28.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.354 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.7 pt-20 -66.57 -31.54 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.401 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 66.5 mt -87.17 -32.42 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.7 mt -67.94 -40.08 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 9.1 p -78.7 137.38 58.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.73 169.64 18.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 133.03 24.58 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.72 2.28 . . . . 0.0 112.293 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 122' ' ' PRO . 34.2 m -110.74 137.37 20.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 121' ' ' THR . 54.3 Cg_endo -69.74 152.96 69.55 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -60.43 113.22 6.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 163.88 36.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.0 p -149.19 143.5 25.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -45.79 171.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.95 52.25 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.0 p -91.71 42.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 84.0 p -122.07 151.62 40.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -126.79 -47.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -84.21 90.61 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.42 -86.83 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -113.88 -52.85 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.0 p 40.65 40.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.06 130.77 10.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -95.57 135.37 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -94.7 135.64 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -83.74 165.38 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 26.0 p -129.3 -38.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' SER . 73.4 p 35.99 42.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -86.56 143.45 36.12 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.559 0.695 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 139.05 39.25 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.629 2.219 . . . . 0.0 112.372 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' HB3' ' C ' ' A' ' 52' ' ' GLY . . . -147.06 154.02 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.073 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.41 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 71.14 172.99 14.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.81 154.75 93.5 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.329 0.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 131.65 21.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.0 117.85 4.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.96 66.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.6 14.16 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -143.1 -178.72 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.55 35.11 25.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 67.9 t -67.43 128.72 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.09 168.27 22.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.2 t -121.9 113.94 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -94.07 -75.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 136.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.07 141.12 16.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.9 t -36.15 -30.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' GLY . 4.5 p -117.75 156.92 49.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.62 8.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.78 6.67 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.8 p -137.16 171.17 14.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.446 ' CG2' HD21 ' A' ' 82' ' ' LEU . 5.1 pt -135.19 169.0 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -117.92 102.44 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.8 t -82.98 100.33 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 m -93.29 142.59 27.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 19.2 p90 -151.49 -176.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -120.79 106.17 39.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 142.08 47.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.89 137.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 90.9 mt -112.02 131.32 55.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 47' ' ' THR . 32.8 p -37.35 157.99 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 15.27 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.475 ' H ' ' C ' ' A' ' 45' ' ' THR . 40.7 p -127.26 -16.33 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.424 ' C ' ' HG ' ' A' ' 49' ' ' LEU . . . 107.01 56.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' HG ' ' C ' ' A' ' 48' ' ' GLY . 14.2 mt -154.77 134.05 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 12.9 t -84.1 -72.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.817 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -114.86 34.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' C ' ' HB3' ' A' ' 15' ' ' ALA . . . 104.65 -18.23 44.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.04 154.77 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.45 104.03 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.433 HG11 ' CG2' ' A' ' 97' ' ' THR . 35.4 t -75.47 113.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -108.64 6.8 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.39 -173.83 29.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.2 m-85 -120.94 173.78 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.872 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.08 131.32 4.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.0 t -98.97 141.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -137.12 148.51 46.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.42 -75.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -118.65 50.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.85 15.11 76.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.18 112.84 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -48.62 115.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 m -95.45 -37.87 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -143.63 164.82 29.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -161.37 121.98 2.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.47 123.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.3 mm -78.45 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -134.11 114.23 12.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' CB ' HG12 ' A' ' 55' ' ' VAL . 54.0 Cg_endo -69.77 -27.9 25.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.3 p -103.87 27.35 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.68 144.37 32.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -123.11 5.4 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.6 p -169.84 134.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -139.43 156.98 46.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.83 145.17 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 81' ' ' GLU . 60.6 t -140.92 140.07 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.47 ' N ' HG12 ' A' ' 80' ' ' VAL . 4.5 mt-10 -74.63 126.79 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.446 HD21 ' CG2' ' A' ' 35' ' ' ILE . 30.4 mt -73.01 -31.33 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.64 -38.49 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -62.47 -21.15 65.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' GLU . 10.8 mt -88.36 -27.23 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -66.53 -57.46 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.81 -38.22 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 mt -91.74 -15.26 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.3 mm-40 61.37 38.57 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.97 131.47 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -103.38 25.36 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.9 151.54 10.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.23 171.06 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.3 p -143.62 171.66 13.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.1 t -133.16 132.04 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -122.67 135.07 54.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.433 ' CG2' HG11 ' A' ' 55' ' ' VAL . 2.9 m -74.03 108.4 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 44.8 mt -77.75 145.42 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.9 p -162.53 161.39 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.22 -31.48 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 12.6 mp0 -75.02 -44.63 46.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.06 170.63 25.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -78.0 173.9 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.3 p -123.02 167.87 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.8 m -46.16 163.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.89 122.48 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.4 p -57.03 177.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.4 114.24 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.0 p -53.97 105.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.07 98.13 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.39 109.54 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.425 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 62.0 t -64.71 136.89 96.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.425 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.75 144.6 54.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -26.09 27.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.03 -36.62 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.2 mt -82.39 -25.86 33.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 31.8 mt -69.87 -39.75 76.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.425 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 6.3 p -75.54 137.35 70.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 111.182 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.425 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.68 164.84 32.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 154.56 67.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.4 t -51.14 140.54 22.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.567 0.698 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 134.04 27.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 5.6 p80 -140.21 118.51 8.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.6 Cg_endo -69.8 -41.04 4.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 124' ' ' PRO . 5.4 t -34.39 134.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -170.55 169.35 42.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.31 13.16 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 t -78.0 -46.9 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -83.79 128.02 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -152.77 166.64 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -164.14 173.57 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.49 -175.79 41.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -166.36 167.1 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -112.07 173.44 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.39 167.62 13.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.86 151.64 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -65.82 150.48 48.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -87.54 128.6 35.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -104.41 123.26 47.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.3 p -105.5 93.66 4.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.32 148.87 81.21 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.59 0.71 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 121.73 8.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.97 148.68 48.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 66.73 173.8 5.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.404 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.1 Cg_endo -69.76 154.47 93.28 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.317 0.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 135.73 31.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.38 120.04 19.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.93 65.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 173.09 11.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.1 178.63 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.07 35.34 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.8 t -70.87 128.93 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 165.94 30.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 58.5 t -120.36 111.4 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -89.75 -75.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.78 140.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.99 142.05 15.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.0 t -34.9 -32.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.1 p -115.82 157.13 45.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.557 0.694 . . . . 0.0 111.098 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.16 6.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.405 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.97 4.18 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.0 p -133.38 164.34 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.441 HG22 ' CG ' ' A' ' 82' ' ' LEU . 4.1 pt -129.8 166.56 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -116.42 108.69 16.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 t -89.71 98.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.9 m -92.96 137.08 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.498 ' CZ3' HG22 ' A' ' 95' ' ' VAL . 17.6 p90 -147.86 -178.29 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -118.47 106.35 44.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.19 17.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.28 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.6 63.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.0 t -48.89 144.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 81.7 mt -120.81 129.64 53.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 47' ' ' THR . 37.7 p -37.1 157.61 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.544 0.687 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.81 16.91 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.484 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -128.46 -14.42 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' C ' ' HG ' ' A' ' 49' ' ' LEU . . . 105.34 57.86 0.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 48' ' ' GLY . 10.1 mt -152.47 141.08 20.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.425 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 22.7 t -88.59 -74.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -114.91 32.68 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.25 -10.97 43.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.49 155.45 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.01 103.73 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 97' ' ' THR . 61.8 t -84.24 118.2 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.5 p -102.7 -15.66 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.21 -165.45 38.9 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.416 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 m-85 -122.28 174.56 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.955 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.09 132.14 3.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.1 t -96.92 139.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -131.35 153.25 49.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -147.42 109.4 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' HG2' ' CB ' ' A' ' 90' ' ' ALA . 9.2 mmpt? 66.95 29.32 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.7 26.62 49.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -140.75 118.78 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -58.4 128.4 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.455 HG11 ' CB ' ' A' ' 84' ' ' ARG . 9.5 m -107.02 -29.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.9 177.99 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -170.43 120.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -105.52 122.24 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.3 mm -78.35 45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.536 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.9 t80 -133.78 115.71 13.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -26.28 27.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 18.0 p -104.76 25.31 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.488 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -81.43 135.21 35.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -120.11 15.64 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.7 p -172.23 132.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -141.76 147.01 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.23 142.99 29.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 81' ' ' GLU . 93.2 t -140.71 142.79 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.449 ' N ' HG12 ' A' ' 80' ' ' VAL . 6.0 mt-10 -76.57 121.66 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' CG ' HG22 ' A' ' 35' ' ' ILE . 10.3 mt -67.15 -33.38 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.6 p -51.11 -39.61 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.455 ' CB ' HG11 ' A' ' 67' ' ' VAL . 51.6 mtp85 -61.32 -25.94 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.6 mt -82.1 -24.48 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -71.12 -55.66 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -51.93 -40.55 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.412 ' CB ' ' HG3' ' A' ' 63' ' ' LYS . 3.5 mt -91.27 -13.07 33.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 60.08 36.73 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.435 ' CB ' ' HG2' ' A' ' 63' ' ' LYS . . . -76.43 122.24 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -92.01 26.31 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.39 161.01 25.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.02 166.44 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 21.8 p -139.88 157.82 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.498 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 21.2 t -120.61 126.61 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -115.69 130.28 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.453 ' CG2' HG11 ' A' ' 55' ' ' VAL . 3.5 m -71.74 107.96 4.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.416 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 24.1 mt -78.98 138.48 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 p -155.19 167.48 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.01 -36.06 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.38 -47.15 62.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.56 163.01 14.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -67.45 172.04 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.403 ' HG ' ' N ' ' A' ' 105' ' ' VAL . 4.9 t -118.88 171.28 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.403 ' N ' ' HG ' ' A' ' 104' ' ' SER . 35.7 m -53.34 163.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 119.2 22.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.8 p -56.13 177.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.53 102.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -43.9 102.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.24 98.39 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.68 112.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 92.3 t -68.25 138.49 91.92 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.615 0.721 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.74 144.92 55.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -14.87 36.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.362 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -74.9 -37.47 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.9 mt -82.43 -26.81 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.2 mt -67.4 -37.19 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.438 ' CG2' ' HD2' ' A' ' 119' ' ' PRO . 6.3 p -77.71 137.66 62.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.78 167.14 25.32 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.344 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 162.08 43.46 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 t -62.64 133.22 94.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 131.7 21.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -95.93 120.97 62.13 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.604 0.716 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 164.8 33.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.2 m -124.49 172.47 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.56 -124.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.91 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.27 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.46 132.2 16.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 m -104.42 138.52 40.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -152.15 116.95 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -63.24 166.74 5.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.09 -156.5 18.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -146.11 173.7 11.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -90.55 150.87 21.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.86 -127.59 2.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -135.2 144.27 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -127.68 155.13 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -103.62 172.46 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.2 m -66.56 159.94 26.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -89.99 89.85 7.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -88.8 149.66 44.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.8 8.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.28 149.74 24.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.413 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 59.25 172.14 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.554 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.73 151.05 91.02 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.312 -0.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 140.98 44.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.31 118.91 24.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.15 69.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 172.02 13.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -142.22 -178.82 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.67 37.78 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 86.7 t -67.33 132.78 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -150.91 170.26 19.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 25' ' ' THR . 96.1 t -128.18 112.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.88 -75.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.0 140.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.99 140.15 15.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 94.1 t -35.76 -30.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.1 p -120.75 157.76 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.36 3.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.74 6.42 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.8 p -141.17 168.58 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.455 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.2 pt -132.93 168.45 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -116.53 96.54 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 t -81.71 100.5 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.21 160.7 16.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 11.6 p90 -169.0 179.01 4.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 6.0 mmm180 -114.97 106.93 50.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 127.52 14.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.29 50.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.1 m -47.33 149.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 92.0 mt -124.42 131.85 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 47' ' ' THR . 24.9 p -38.13 158.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.73 13.35 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -126.84 -12.02 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.505 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 101.96 61.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 16.7 mt -156.78 131.54 8.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.475 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 32.5 t -83.15 -75.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -110.56 26.96 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.83 -13.04 29.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.47 163.47 12.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -90.38 91.32 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.47 HG12 ' CG2' ' A' ' 97' ' ' THR . 99.6 t -67.39 118.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -106.35 -10.13 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.03 -173.91 40.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -117.48 172.68 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.92 130.8 4.02 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.0 t -94.09 139.84 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.11 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -136.64 155.85 49.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.451 ' HB2' ' CB ' ' A' ' 90' ' ' ALA . . . -122.95 -69.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -122.86 46.67 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.81 12.15 72.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -130.4 112.71 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -51.48 114.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.6 m -93.82 -25.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -154.63 164.18 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.39 125.02 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.63 120.93 60.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.9 mm -77.82 45.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.54 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.4 t80 -135.67 115.19 11.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -26.15 27.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.54 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 p -104.71 27.08 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.52 141.59 38.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -116.51 -4.97 11.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -164.8 137.52 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -138.72 146.9 42.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.36 146.5 28.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 81' ' ' GLU . 99.2 t -140.45 143.87 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.454 ' N ' HG11 ' A' ' 80' ' ' VAL . 4.6 mt-10 -76.45 129.54 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 35' ' ' ILE . 33.2 mt -75.65 -32.13 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 3.9 p -55.52 -41.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 33.2 mtp85 -60.68 -23.55 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.24 -23.04 28.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -71.57 -53.07 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -52.3 -34.33 46.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.7 mt -96.52 -15.73 21.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 62.83 38.26 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -78.74 134.74 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -103.95 11.84 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.0 159.33 31.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.2 m -131.1 164.53 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.4 p -138.14 170.44 16.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.6 t -131.99 130.89 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -121.79 132.85 54.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.47 ' CG2' HG12 ' A' ' 55' ' ' VAL . 7.3 m -75.6 109.35 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.58 150.3 26.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.417 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 69.1 p -164.93 179.36 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.54 -34.95 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 -52.0 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.08 -175.12 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -86.17 160.36 19.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.7 p -109.26 168.62 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.6 m -49.04 164.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.63 120.61 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.8 p -56.25 -179.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.38 112.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.8 p -52.79 105.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.05 99.14 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.56 111.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -65.69 136.12 95.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.405 ' CG ' HD13 ' A' ' 116' ' ' LEU . 53.4 Cg_endo -69.83 144.19 52.87 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.308 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -75.56 -32.93 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.405 HD13 ' CG ' ' A' ' 113' ' ' PRO . 90.8 mt -82.54 -28.3 31.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.6 mt -72.09 -36.47 69.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.14 134.44 70.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 153.39 68.81 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.31 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 165.74 29.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 t -78.59 141.28 60.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 157.13 61.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -96.03 151.54 38.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 174.76 9.03 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' GLY . 22.0 t -118.05 -50.1 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 125' ' ' SER . . . -36.13 144.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -49.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.308 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 71.6 m -67.02 92.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.1 p -169.74 170.29 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -43.86 166.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -56.21 171.92 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.61 -148.53 8.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -142.06 170.4 15.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -97.38 161.69 13.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.08 -140.0 3.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.75 161.53 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -131.94 176.82 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -42.09 132.97 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m -76.78 153.02 35.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.1 p -133.0 41.06 3.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 mt -40.68 144.55 0.6 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 140.39 42.51 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.61 145.08 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 61.68 173.33 1.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.4 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.4 Cg_endo -69.75 147.79 85.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.32 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 133.99 26.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.31 119.53 9.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.41 69.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.53 12.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -144.98 -177.67 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 57.47 29.66 17.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 62.1 t -62.89 128.6 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -146.66 170.14 17.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.426 ' N ' ' OG1' ' A' ' 25' ' ' THR . 55.8 t -127.17 111.74 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -91.43 -75.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.98 143.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.81 143.84 16.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' GLY . 61.4 t -36.58 -34.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.4 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.7 p -114.8 156.98 44.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 0.08 6.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.42 3.52 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -138.96 169.76 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 ' HA ' ' N ' ' A' ' 29' ' ' GLY . 4.2 pt -134.39 174.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -119.75 107.46 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 t -89.88 99.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 m -94.77 142.53 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.513 ' CZ3' HG23 ' A' ' 95' ' ' VAL . 18.2 p90 -149.34 -175.53 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.8 mmm-85 -120.12 106.91 40.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.26 17.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.58 40.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -45.39 142.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 50' ' ' SER . 85.0 mt -117.37 130.91 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.9 p -37.48 157.82 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.691 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.83 13.6 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.626 2.217 . . . . 0.0 112.351 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.469 ' H ' ' C ' ' A' ' 45' ' ' THR . 43.2 p -127.21 -10.39 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . 100.67 59.97 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 48' ' ' GLY . 20.8 mt -156.85 125.29 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' HD23 ' A' ' 44' ' ' LEU . 3.7 t -76.21 -70.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -117.5 32.42 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.08 -12.14 40.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.07 11.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.335 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.17 111.53 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG11 ' CG2' ' A' ' 97' ' ' THR . 49.0 t -87.83 118.71 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -101.52 -15.49 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.84 41.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -121.47 174.57 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.76 140.02 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 61' ' ' TYR . 90.2 t -106.29 140.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 4.7 m-85 -139.36 151.91 46.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.13 -75.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -114.13 37.73 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.12 8.95 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' NE2' HD13 ' A' ' 88' ' ' LEU . 4.3 pt20 -121.68 135.68 54.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 16.8 ttm180 -73.58 98.81 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.417 ' HB ' ' CD ' ' A' ' 84' ' ' ARG . 30.1 m -79.67 -42.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.93 170.99 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -168.81 122.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.77 123.23 66.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.2 mm -78.34 44.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CZ ' ' OG1' ' A' ' 74' ' ' THR . 3.4 t80 -133.76 114.69 13.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -24.95 29.48 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.4 p -104.99 21.78 16.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.458 ' O ' ' NE1' ' A' ' 39' ' ' TRP . . . -79.18 134.56 36.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.34 17.92 12.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.8 p -175.02 131.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.1 t -143.05 150.77 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.01 143.28 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 ' N ' ' A' ' 81' ' ' GLU . 93.0 t -136.99 138.14 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' N ' HG11 ' A' ' 80' ' ' VAL . 14.8 mt-10 -76.01 127.83 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 HD21 ' CG2' ' A' ' 35' ' ' ILE . 39.9 mt -74.17 -29.98 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 5.4 p -57.47 -44.46 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 82.5 mtt-85 -54.35 -32.15 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.77 -28.95 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -67.6 -54.73 17.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -52.54 -39.12 61.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.476 HD13 ' NE2' ' A' ' 65' ' ' GLN . 1.3 mt -89.8 -12.47 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 60.8 36.98 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.13 142.64 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -107.45 10.55 29.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -165.88 161.78 35.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.69 175.75 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.4 p -144.25 163.45 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.513 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 18.1 t -125.33 126.09 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -117.19 136.34 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.413 ' CG2' HG11 ' A' ' 55' ' ' VAL . 2.9 m -74.73 110.89 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.8 mt -79.13 136.4 37.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 p -149.75 172.26 15.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.59 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.36 -48.84 25.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.05 31.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -74.94 163.65 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.6 p -110.81 164.06 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.8 m -43.31 161.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 120.81 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 89.4 p -55.16 177.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.61 109.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.6 p -48.97 104.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.09 98.66 8.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.77 112.78 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.8 136.68 94.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 54.1 Cg_endo -69.75 144.92 55.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.28 37.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -74.33 -38.92 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.407 ' CD1' ' HG2' ' A' ' 113' ' ' PRO . 65.9 mt -77.95 -35.15 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.25 -35.22 78.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.5 p -88.54 132.25 39.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 164.75 33.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.398 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 143.0 49.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 t -148.92 140.82 14.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.702 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.94 17.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.352 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -107.76 114.09 60.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.32 12.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.29 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.3 m -56.3 134.52 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -113.35 154.27 17.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 176.25 7.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.244 . . . . 0.0 112.304 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 94.2 p -112.63 132.46 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.8 m -104.35 -46.34 4.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -166.52 140.82 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -142.18 135.46 28.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.83 162.98 29.29 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -132.88 95.48 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -66.42 -43.76 84.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.65 -138.05 7.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.3 p -73.79 123.72 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.13 155.8 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 11' ' ' SER . 74.8 t80 -158.32 167.7 29.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 7.4 m -147.88 122.22 9.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.7 t -72.91 104.54 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.5 mt -88.37 156.65 50.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.86 43.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.315 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.5 147.48 28.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.09 175.95 40.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.92 92.85 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.346 0.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 136.64 33.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 120.78 18.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.69 69.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 170.59 16.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.636 2.224 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -140.01 -177.41 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 55.37 37.09 28.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.4 t -69.06 132.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -153.73 170.33 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.404 ' N ' ' OG1' ' A' ' 25' ' ' THR . 77.0 t -124.56 110.31 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -89.51 -75.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -86.4 143.3 19.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 85.2 t -35.64 -37.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -116.46 157.35 45.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.197 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HB2' ' CD ' ' A' ' 120' ' ' PRO . 54.1 Cg_endo -69.73 3.1 2.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.376 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.7 2.96 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.04 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 64.5 p -139.58 172.91 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.4 pt -134.61 168.63 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -116.36 95.36 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -78.07 101.32 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 m -94.9 144.05 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 16.5 p90 -151.56 -175.24 5.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -118.48 106.38 44.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 125.98 12.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.19 69.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.14 146.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 91.8 mt -120.01 130.95 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.487 ' C ' ' H ' ' A' ' 47' ' ' THR . 35.8 p -37.59 158.19 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.512 0.672 . . . . 0.0 111.193 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.0 Cg_endo -69.79 15.89 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.487 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.2 p -127.4 -18.79 4.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.07 52.58 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 mt -152.69 133.03 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -81.39 -73.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -115.23 30.87 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.56 -17.9 30.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.07 154.68 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.95 85.69 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.12 111.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.4 p -104.26 -6.27 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -175.26 38.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -118.08 173.71 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.31 132.74 4.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.465 HG11 ' CG2' ' A' ' 80' ' ' VAL . 53.4 t -96.81 137.85 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.498 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 47.9 m-85 -136.44 156.62 48.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -122.01 -69.0 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -121.86 46.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.46 16.27 69.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.442 ' NE2' HD23 ' A' ' 88' ' ' LEU . 31.0 mt-30 -130.37 113.43 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 11.4 ttm180 -50.45 108.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.458 ' CG2' HG13 ' A' ' 80' ' ' VAL . 16.3 m -87.09 -41.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 67' ' ' VAL . . . -140.48 173.97 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.39 126.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.33 121.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.3 mm -78.21 45.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -135.8 115.09 11.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -30.18 22.51 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.9 p -100.91 27.28 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.72 148.79 38.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -123.9 -6.16 7.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -164.28 142.5 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -142.66 162.17 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.95 144.44 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG2' HG11 ' A' ' 60' ' ' VAL . 90.0 t -140.02 139.92 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.463 ' N ' HG12 ' A' ' 80' ' ' VAL . 5.3 mt-10 -74.37 126.05 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD21 ' CG2' ' A' ' 35' ' ' ILE . 40.7 mt -72.81 -31.24 64.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 5.5 p -56.67 -42.51 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' N ' ' CG1' ' A' ' 83' ' ' VAL . 25.3 mtp180 -57.93 -24.19 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.57 -24.37 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 4.0 mmm180 -70.63 -57.69 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -49.91 -37.4 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.442 HD23 ' NE2' ' A' ' 65' ' ' GLN . 3.6 mt -92.64 -15.88 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 63.51 37.34 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 62' ' ' ALA . . . -80.82 125.59 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.8 26.59 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.22 157.85 22.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -127.22 169.78 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.8 p -144.55 160.28 41.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 33.0 t -121.19 132.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.498 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 28.7 mtp180 -122.62 130.07 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 m -71.76 103.36 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 20.3 mt -74.63 146.68 42.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 p -165.91 158.0 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.78 58.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.25 -29.4 65.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.61 171.12 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -78.33 164.98 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.9 p -110.29 -178.19 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -62.59 166.88 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.67 119.22 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.5 p -55.0 177.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.22 107.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.1 p -48.14 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.98 98.67 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.17 113.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 113' ' ' PRO . 93.3 t -67.79 138.47 93.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.79 145.43 56.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -23.98 30.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.97 -40.08 90.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.44 -30.89 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.2 mt -65.11 -39.59 93.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.3 p -78.91 129.54 73.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 138.81 38.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.46 ' CD ' ' HB2' ' A' ' 32' ' ' PRO . 53.9 Cg_endo -69.73 -178.43 2.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 t -136.72 141.51 35.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 111.182 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.29 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -40.9 130.8 1.91 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 158.73 55.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.8 p -169.47 163.25 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -132.04 172.96 20.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 121.75 8.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.2 t -117.82 144.07 45.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.8 t -45.62 -52.44 10.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 121.431 0.462 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.68 87.18 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.343 0.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 137.03 34.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.04 121.02 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.55 68.89 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.633 2.222 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 174.89 8.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.386 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -148.74 177.25 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 25' ' ' THR . 0.6 OUTLIER 60.47 32.74 20.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.549 HG21 ' OG ' ' A' ' 107' ' ' SER . 30.1 t -62.72 139.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -159.88 160.26 33.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.601 HG13 ' HB ' ' A' ' 35' ' ' ILE . 73.1 t -116.84 108.55 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -86.27 -75.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.77 139.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.63 142.36 16.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.9 t -38.16 -26.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -122.22 157.01 59.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 111.081 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.56 16.51 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.42 10.85 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -142.69 170.74 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.633 HG23 HD21 ' A' ' 82' ' ' LEU . 4.9 pt -135.84 173.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.18 99.78 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.409 ' O ' ' CE3' ' A' ' 39' ' ' TRP . 7.3 t -80.2 96.66 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.38 140.06 29.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.448 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.6 p90 -150.49 176.57 10.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -115.12 107.88 49.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 130.93 20.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.5 42.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -45.42 137.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 50' ' ' SER . 83.0 mt -111.54 131.3 55.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 30.2 p -37.27 157.63 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.55 0.69 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.75 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 77.8 p -127.2 -12.52 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.719 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 103.04 60.24 0.72 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -156.95 135.83 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.828 0.346 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.646 ' HA ' HD23 ' A' ' 44' ' ' LEU . 43.6 t -82.59 -73.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -116.57 29.23 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.72 -10.47 27.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.77 162.45 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' OD1' HD21 ' A' ' 49' ' ' LEU . 3.7 m120 -90.32 97.11 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.97 117.55 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.1 p -103.14 -13.84 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.93 -169.54 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 97.8 m-85 -121.86 173.84 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.914 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.58 131.87 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 80' ' ' VAL . 9.9 t -97.07 136.08 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 111.116 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 80.3 m-85 -133.16 147.06 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 -74.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.757 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.0 mmpt? -118.61 40.3 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.16 9.32 60.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -123.63 113.48 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 15.7 ttm-85 -51.65 112.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 84' ' ' ARG . 15.9 m -94.63 -39.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.707 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -142.32 162.42 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.72 119.77 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 70' ' ' VAL . 10.5 p -102.48 122.7 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' ' 71' ' ' ILE . 17.6 mm -79.64 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.863 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -132.88 115.98 14.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -27.37 26.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 15.0 p -103.0 24.66 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.23 134.02 36.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.15 6.66 16.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -172.3 136.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -140.37 155.02 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.79 143.42 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 68' ' ' ALA . 91.6 t -140.75 138.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -70.24 131.1 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.633 HD21 HG23 ' A' ' 35' ' ' ILE . 27.5 mt -77.79 -31.29 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -57.68 -37.4 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 88' ' ' LEU . 30.6 mtp85 -61.3 -26.62 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.3 mt -84.01 -26.06 29.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -65.17 -57.75 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -50.17 -38.12 38.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.4 mt -92.25 -12.73 31.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' LEU . 28.9 mt-10 58.34 36.54 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.757 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.6 128.93 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.95 25.82 7.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.23 152.61 10.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.86 167.54 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 109' ' ' VAL . 34.9 p -136.26 160.34 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.545 ' H ' ' HG ' ' A' ' 107' ' ' SER . 11.7 t -121.14 127.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -119.04 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.424 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.22 110.78 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.68 137.85 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.5 p -145.12 176.56 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.57 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -36.42 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.37 -131.33 2.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -132.1 169.3 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -113.79 172.32 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -54.98 170.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.71 123.77 31.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.549 ' OG ' HG21 ' A' ' 24' ' ' VAL . 98.0 p -62.25 -178.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.78 108.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -49.39 104.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.454 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -82.7 98.57 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 108.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.6 t -63.21 137.17 97.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.605 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.77 146.78 61.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.696 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.4 Cg_endo -69.78 -22.98 31.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.307 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.93 -35.34 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.418 HD12 ' HG2' ' A' ' 113' ' ' PRO . 84.7 mt -83.57 -33.59 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 82' ' ' LEU . 25.2 mt -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.455 0.475 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.5 Cg_endo -69.75 153.65 93.01 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.272 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 137.96 36.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.82 118.64 15.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 148.83 66.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 171.75 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -143.07 -176.61 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 55.81 35.45 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG21 ' OG ' ' A' ' 107' ' ' SER . 58.4 t -66.32 131.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.38 165.43 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.505 HG13 ' HB ' ' A' ' 35' ' ' ILE . 54.9 t -122.81 114.18 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -93.11 -75.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.85 135.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -87.36 143.32 18.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 66.4 t -35.58 -34.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -114.4 157.14 43.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.76 7.16 32.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 81' ' ' GLU . 71.5 p -138.49 171.7 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.671 HG23 HD21 ' A' ' 82' ' ' LEU . 4.0 pt -136.38 164.35 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -111.58 101.51 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 t -83.79 98.97 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -93.63 140.66 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.64 ' CE3' HG21 ' A' ' 95' ' ' VAL . 22.5 p90 -147.55 -177.63 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -118.01 107.02 44.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.16 17.14 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 140.4 42.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -46.59 138.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' A' ' 50' ' ' SER . 87.0 mt -112.7 132.82 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 26.6 p -37.22 157.7 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.611 0.72 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 14.77 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.704 2.27 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 45' ' ' THR . 70.4 p -127.31 -16.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.568 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.45 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -154.88 130.42 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.578 ' HA ' HD23 ' A' ' 44' ' ' LEU . 2.1 t -81.31 -67.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -120.45 28.68 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.94 27.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.45 154.71 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -84.37 103.04 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.9 116.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.8 p -99.69 -15.39 18.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.51 -165.03 36.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 90.2 m-85 -125.38 173.76 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.879 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.44 133.95 5.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.624 HG11 HG21 ' A' ' 80' ' ' VAL . 48.6 t -99.6 134.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 19.7 m-85 -131.76 143.64 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -108.77 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.747 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.4 mmpt? -119.53 38.86 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.71 7.67 64.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -122.39 114.04 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -47.96 108.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.566 HG12 ' HB3' ' A' ' 84' ' ' ARG . 3.1 m -92.49 -34.42 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -146.9 164.06 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -161.02 123.49 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 p -108.84 122.15 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 71' ' ' ILE . 22.9 mm -77.56 46.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.879 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -136.06 114.97 10.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -24.88 28.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.529 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.1 p -105.27 23.18 14.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.71 129.64 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -113.3 13.31 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 p -173.14 130.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.73 149.84 45.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.7 143.7 29.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.624 HG21 HG11 ' A' ' 60' ' ' VAL . 89.9 t -138.56 138.74 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.7 mt-10 -74.03 124.95 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.671 HD21 HG23 ' A' ' 35' ' ' ILE . 34.6 mt -71.35 -31.77 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.5 p -55.31 -40.77 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.566 ' HB3' HG12 ' A' ' 67' ' ' VAL . 35.2 mtp85 -58.46 -29.92 66.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 89' ' ' GLU . 11.1 mt -79.22 -26.33 42.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -67.25 -58.18 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.0 -41.04 59.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.8 mt -89.51 -15.61 32.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' LEU . 14.1 mt-10 62.61 37.38 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.747 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.78 125.4 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -98.43 26.24 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.01 156.53 18.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 m -128.05 171.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 109' ' ' VAL . 26.7 p -144.34 170.91 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.64 HG21 ' CE3' ' A' ' 39' ' ' TRP . 12.8 t -132.44 132.0 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.583 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 15.2 mtp180 -123.91 133.42 53.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.24 102.54 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.421 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 26.7 mt -76.0 138.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -151.27 169.21 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.16 -32.74 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -72.99 -44.98 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.52 -173.62 41.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -91.33 162.67 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.7 t -112.69 165.04 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m -46.78 163.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.64 124.16 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.568 ' OG ' HG21 ' A' ' 24' ' ' VAL . 72.8 p -59.25 178.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.69 111.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.9 p -53.76 104.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.49 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.51 98.23 9.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.44 112.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 113' ' ' PRO . 97.5 t -65.46 138.84 97.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.68 145.94 59.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.2 Cg_endo -69.76 -20.94 34.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -71.94 -37.3 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 71.7 mt -79.46 -33.74 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 114' ' ' PRO . 38.4 mt -64.0 -34.02 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.846 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.42 0.456 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.82 91.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.39 44.9 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.89 118.21 22.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 149.99 67.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.75 170.96 15.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -142.12 175.93 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' HD3' ' A' ' 40' ' ' ARG . 4.5 m-20 61.74 35.05 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.705 HG21 ' OG ' ' A' ' 107' ' ' SER . 83.8 t -68.3 128.68 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.77 170.24 18.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.555 HG21 HG22 ' A' ' 112' ' ' VAL . 75.3 t -123.63 111.96 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -90.9 -76.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.26 134.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.3 142.11 18.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLY . 86.7 t -37.5 -28.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 111.169 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.7 p -122.13 157.43 58.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.27 7.62 31.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 81' ' ' GLU . 44.6 p -141.75 169.43 17.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.818 HG23 HD21 ' A' ' 82' ' ' LEU . 3.5 pt -132.25 173.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -122.8 98.97 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.0 t -80.93 104.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -97.22 142.44 29.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.636 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.9 p90 -150.51 -177.68 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HD3' ' CB ' ' A' ' 23' ' ' ASP . 6.1 mpt_? -116.84 107.02 46.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 126.67 13.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.47 67.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.47 139.87 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.9 mt -112.65 131.73 55.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 36.5 p -37.64 157.87 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.79 15.71 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.46 ' H ' ' C ' ' A' ' 45' ' ' THR . 60.8 p -127.05 -17.11 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.758 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.22 56.58 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 48' ' ' GLY . 13.5 mt -155.99 136.75 13.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -86.65 -73.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -111.16 17.76 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.44 -19.47 8.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.87 163.69 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -90.9 96.48 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.86 114.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -110.49 4.44 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' LEU . . . 154.14 179.13 29.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -114.48 174.13 6.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.94 126.66 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 80' ' ' VAL . 39.5 t -92.38 137.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 40.3 m-85 -133.74 147.8 51.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -114.88 -67.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.3 mmpt? -124.85 44.79 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.83 12.87 70.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -129.12 112.99 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -48.56 111.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 84' ' ' ARG . 8.2 m -92.35 -32.85 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.586 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.83 165.73 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -160.66 126.32 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -109.13 121.5 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.566 ' O ' HG22 ' A' ' 71' ' ' ILE . 30.1 mm -77.7 45.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.817 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -136.25 114.57 10.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -26.67 27.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.371 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 p -104.62 27.84 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.817 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.29 145.67 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -119.74 -7.93 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -159.72 141.57 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -141.79 150.98 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 145.95 25.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.586 HG22 ' CB ' ' A' ' 68' ' ' ALA . 98.6 t -140.0 143.03 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -78.94 123.68 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.818 HD21 HG23 ' A' ' 35' ' ' ILE . 54.8 mt -68.03 -33.77 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.62 -37.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.1 mtp85 -61.54 -28.15 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.1 mt -82.0 -26.27 34.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -67.41 -56.94 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -50.18 -40.93 48.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.2 mt -91.05 -15.98 28.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' LEU . 53.7 mt-10 63.91 37.97 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -79.36 129.83 34.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -101.71 20.37 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.03 155.94 24.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.2 171.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.9 p -143.98 178.28 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.636 HG21 ' CE3' ' A' ' 39' ' ' TRP . 40.7 t -136.67 130.03 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.538 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 23.3 mtp180 -121.03 125.96 48.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 m -68.58 105.91 2.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.414 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 22.7 mt -78.83 150.41 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.2 p -158.5 179.53 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.49 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.3 mp0 -85.0 -43.24 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.59 -160.47 33.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.91 170.92 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 t -118.53 168.64 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -50.72 162.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.77 121.98 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.705 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.5 p -57.12 179.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.12 112.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -54.34 104.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.08 98.19 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.74 112.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.1 t -66.19 138.38 96.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.1 Cg_endo -69.78 145.26 56.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.681 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.78 -22.03 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.28 -30.77 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.44 -28.55 22.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 114' ' ' PRO . 25.2 mt -69.53 -39.06 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 114' ' ' PRO . 3.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.725 . . . . 0.0 111.167 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 53' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.443 0.469 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.67 85.02 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.33 0.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.63 33.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.89 118.56 8.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.91 69.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.13 15.04 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.69 -176.4 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 54.11 34.01 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG21 ' OG ' ' A' ' 107' ' ' SER . 55.1 t -67.34 127.47 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.41 168.54 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG13 ' HB ' ' A' ' 35' ' ' ILE . 77.4 t -123.42 113.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -93.55 -75.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.69 134.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -86.65 144.36 19.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -38.86 -33.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -115.16 156.85 44.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.99 2.44 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.41 HG22 ' HA ' ' A' ' 81' ' ' GLU . 64.9 p -137.97 169.5 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.79 HG23 HD21 ' A' ' 82' ' ' LEU . 10.3 pt -131.66 179.18 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -125.27 103.01 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 t -85.46 100.17 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -94.49 138.69 32.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.653 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.3 p90 -146.45 -175.14 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -118.13 105.6 46.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 125.79 12.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.09 44.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -45.73 147.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 50' ' ' SER . 92.0 mt -123.34 131.09 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 28.1 p -37.25 158.12 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 16.11 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 45' ' ' THR . 72.4 p -127.14 -18.65 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.57 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 110.37 58.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 48' ' ' GLY . 10.4 mt -153.34 142.69 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.559 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.7 t -94.67 -63.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -122.96 29.44 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.83 -12.87 38.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' GLY . . . -105.52 158.78 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.86 109.03 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -89.14 119.91 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -102.86 -17.24 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.83 -161.0 31.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.5 m-85 -126.66 173.13 9.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.85 129.27 3.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.832 ' HB ' ' HB3' ' A' ' 68' ' ' ALA . 87.7 t -94.08 137.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 64.5 m-85 -134.39 155.25 50.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -121.29 -67.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.9 mmpt? -124.42 44.6 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.55 15.22 66.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -130.62 113.52 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 8.6 ttm180 -48.65 111.03 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.8 m -96.61 -34.86 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.832 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . . . -141.11 166.99 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -166.51 122.66 1.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.74 122.68 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 71' ' ' ILE . 21.5 mm -77.44 46.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.867 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 4.6 t80 -138.12 114.68 9.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.59 29.7 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.394 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.2 p -105.55 24.44 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.867 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -82.59 130.16 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -113.64 15.81 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.9 p -171.49 130.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.7 160.55 38.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.61 23.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.613 HG21 HG11 ' A' ' 60' ' ' VAL . 98.9 t -138.69 137.68 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 34' ' ' THR . 9.2 mt-10 -76.09 119.52 20.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.79 HD21 HG23 ' A' ' 35' ' ' ILE . 33.3 mt -68.06 -30.09 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 84' ' ' ARG . 9.4 p -60.18 -42.0 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' N ' HG13 ' A' ' 83' ' ' VAL . 45.8 mtp85 -57.87 -28.79 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' GLU . 9.7 mt -78.18 -26.87 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -68.28 -56.71 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.22 -41.59 60.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.5 mt -90.44 -15.31 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 85' ' ' LEU . 32.4 mt-10 61.7 37.89 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.91 128.68 34.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -99.38 25.45 6.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 160.89 26.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.13 170.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.107 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p -141.18 171.83 13.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.653 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.4 t -135.43 125.9 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -115.79 138.94 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 m -79.94 90.04 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 103' ' ' GLU . 47.1 mt -61.31 139.07 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.4 p -142.98 171.43 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.04 -25.71 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -92.69 -42.78 9.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.19 135.35 1.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.951 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -51.95 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 p -120.03 -178.13 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.46 176.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 119.37 31.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.426 ' OG ' HG21 ' A' ' 24' ' ' VAL . 25.4 p -54.5 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.86 108.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.3 p -49.14 104.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.84 98.34 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.32 113.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 113' ' ' PRO . 98.3 t -66.6 138.92 95.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.71 145.17 56.63 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.606 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.73 -23.7 30.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -36.44 77.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.418 HD12 ' CG ' ' A' ' 113' ' ' PRO . 78.2 mt -79.65 -33.03 41.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 114' ' ' PRO . 21.0 mt -69.04 -37.45 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 114' ' ' PRO . 9.1 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.143 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.426 0.459 . . . . 0.0 112.525 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.3 Cg_endo -69.78 149.41 88.58 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.307 0.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.8 19.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.96 118.41 2.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 149.72 67.32 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 171.73 13.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -142.83 -177.3 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.68 30.96 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.736 HG21 ' OG ' ' A' ' 107' ' ' SER . 61.6 t -64.01 127.03 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 164.98 33.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG13 ' HB ' ' A' ' 35' ' ' ILE . 89.8 t -120.74 111.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -90.08 -75.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.42 135.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -85.29 143.06 20.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -38.89 -30.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.6 p -119.52 158.05 50.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.54 12.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.38 1.43 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 81' ' ' GLU . 44.3 p -135.78 170.78 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.701 HG23 HD21 ' A' ' 82' ' ' LEU . 4.6 pt -132.92 177.77 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.2 100.06 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 t -83.42 98.18 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -91.7 144.74 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CE3' HG21 ' A' ' 95' ' ' VAL . 18.2 p90 -152.13 -176.6 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 2.9 mmm180 -118.66 107.26 42.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 125.53 12.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 144.99 55.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.4 m -46.12 146.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.8 mt -121.46 132.46 54.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 29.7 p -37.51 157.93 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.79 12.02 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.9 p -126.99 -11.34 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.737 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 102.08 60.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 48' ' ' GLY . 18.2 mt -156.61 128.44 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 28.0 t -78.05 -75.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -113.54 30.35 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.7 27.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.21 169.61 9.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -97.94 95.1 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 97' ' ' THR . 46.9 t -69.38 113.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -109.98 6.64 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.88 -178.05 29.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.5 m-85 -119.16 173.4 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.913 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.12 137.74 7.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.483 HG11 HG21 ' A' ' 80' ' ' VAL . 17.4 t -102.91 140.81 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -134.91 151.77 51.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.81 -75.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.738 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.3 mmpt? -119.51 45.6 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.22 9.82 66.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -128.26 114.51 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -49.15 119.3 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.784 HG12 HH11 ' A' ' 84' ' ' ARG . 4.1 m -98.81 -30.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.705 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.98 170.92 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.04 127.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.2 p -113.93 122.3 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 71' ' ' ILE . 17.6 mm -79.01 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.869 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.5 t80 -133.44 114.42 13.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.84 29.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 20.0 p -104.75 22.58 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.869 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.22 133.83 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -114.65 11.49 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.1 p -173.43 134.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -138.92 152.79 48.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.51 145.39 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.705 HG22 ' CB ' ' A' ' 68' ' ' ALA . 95.6 t -141.77 141.95 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.614 ' HA ' HG22 ' A' ' 34' ' ' THR . 8.8 mt-10 -75.58 126.27 30.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.701 HD21 HG23 ' A' ' 35' ' ' ILE . 43.9 mt -72.52 -31.64 65.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.5 p -56.9 -41.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.784 HH11 HG12 ' A' ' 67' ' ' VAL . 8.5 mtp-105 -59.83 -21.65 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.86 -29.54 22.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -66.15 -59.06 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -45.98 -40.24 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.6 mt -88.93 -17.77 28.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 66.1 36.02 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.738 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.0 130.57 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.554 ' NZ ' HD13 ' A' ' 117' ' ' LEU . 5.1 mmpt? -102.1 21.16 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.57 156.13 22.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.17 172.07 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.1 p -138.78 176.4 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.496 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.94 127.16 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -118.04 135.52 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.414 HG22 HG13 ' A' ' 55' ' ' VAL . 2.8 m -75.35 104.07 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 23.5 mt -74.31 145.2 44.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.2 p -153.45 172.85 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.02 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -83.71 -44.16 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.87 151.84 7.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.17 -179.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.1 p -120.36 177.72 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -55.8 168.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 125.72 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.736 ' OG ' HG21 ' A' ' 24' ' ' VAL . 91.0 p -59.9 178.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.41 115.66 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -53.57 105.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.74 99.2 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.6 112.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 113' ' ' PRO . 89.8 t -65.32 138.63 97.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.623 0.725 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.74 145.94 58.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.669 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.79 -25.68 28.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.394 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -64.67 -37.61 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.527 HD12 ' HG2' ' A' ' 113' ' ' PRO . 77.0 mt -81.22 -33.2 33.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 114' ' ' PRO . 19.9 mt -63.47 -37.61 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.577 0.703 . . . . 0.0 111.151 179.832 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 121.432 0.462 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 156.83 92.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.34 0.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.84 43.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 120.99 39.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 148.37 65.3 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.2 17.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.51 174.94 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.36 35.32 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' OG ' ' A' ' 107' ' ' SER . 13.8 t -68.1 127.59 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.91 160.96 42.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG13 ' HB ' ' A' ' 35' ' ' ILE . 61.1 t -116.62 110.3 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -87.43 -75.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.37 135.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.19 145.25 19.03 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -43.45 -25.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 p -124.99 157.75 65.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.4 28.48 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.65 2.96 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 81' ' ' GLU . 67.1 p -141.26 163.25 33.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.771 HG23 HD21 ' A' ' 82' ' ' LEU . 9.0 pt -127.69 -176.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -130.12 99.16 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 t -83.99 105.19 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -97.7 141.88 30.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.429 ' CE3' HG21 ' A' ' 95' ' ' VAL . 23.4 p90 -147.72 -175.04 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -122.16 108.38 34.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.58 45.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -42.63 136.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 84.7 mt -110.39 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 40.5 p -36.93 156.91 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 13.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 45' ' ' THR . 37.9 p -129.14 -7.36 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.63 61.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.2 mt -154.55 129.82 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 7.6 t -102.16 102.62 13.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 69.61 25.04 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.34 -11.44 67.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.93 162.47 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -100.51 85.88 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.494 HG13 HG22 ' A' ' 97' ' ' THR . 38.7 t -66.88 120.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -114.91 6.5 15.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.93 -177.88 31.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.435 ' O ' HD11 ' A' ' 98' ' ' LEU . 96.8 m-85 -119.82 172.78 7.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.01 135.19 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 80' ' ' VAL . 18.8 t -97.83 139.66 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 96' ' ' ARG . 83.4 m-85 -133.44 148.62 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -113.37 -73.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.7 mmpt? -121.49 43.19 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.95 8.82 63.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -128.18 114.98 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.445 HH21 HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -46.42 121.6 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.612 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.9 m -103.06 -24.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -155.62 165.89 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -161.8 123.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.58 122.3 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 71' ' ' ILE . 28.8 mm -77.9 45.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.809 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -136.94 114.14 9.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 54.3 Cg_endo -69.67 -25.84 28.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.3 p -103.41 24.77 10.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.809 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -77.71 140.67 39.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -116.77 -2.18 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.1 m -164.82 141.73 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -145.3 143.61 30.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.12 141.85 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 60' ' ' VAL . 95.3 t -135.55 141.47 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.0 mt-10 -77.29 126.79 31.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.771 HD21 HG23 ' A' ' 35' ' ' ILE . 88.5 mt -72.68 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.68 -37.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.612 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.7 mtp85 -63.11 -19.92 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.5 mt -89.58 -26.36 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -67.36 -59.86 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -46.33 -42.48 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.4 mt -91.74 -10.26 40.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 11.9 mt-10 58.6 35.77 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.643 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -75.68 127.8 33.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.1 12.85 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.43 153.41 23.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.88 174.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 109' ' ' VAL . 49.2 p -142.73 175.74 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.429 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.1 t -137.23 127.67 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.585 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 16.8 mtp180 -118.67 135.34 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.494 HG22 HG13 ' A' ' 55' ' ' VAL . 3.0 m -74.95 99.85 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.445 HD13 HH21 ' A' ' 66' ' ' ARG . 19.8 mt -69.78 141.31 53.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 p -149.34 179.81 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.534 ' HB3' HE22 ' A' ' 101' ' ' GLN . . . -79.68 -12.09 59.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.534 HE22 ' HB3' ' A' ' 100' ' ' ALA . 4.9 mp0 -97.18 -34.32 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.21 19.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.72 154.12 28.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -99.94 175.43 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.83 162.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.88 125.77 30.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.2 p -59.36 -179.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.06 110.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.3 p -50.64 104.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.06 98.35 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.49 111.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 113' ' ' PRO . 94.6 t -63.01 138.48 97.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.5 Cg_endo -69.81 142.76 48.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.75 -15.62 37.22 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -74.25 -37.5 63.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.405 HD12 ' HG2' ' A' ' 113' ' ' PRO . 73.5 mt -81.06 -29.84 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 114' ' ' PRO . 25.1 mt -69.01 -38.0 78.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 114' ' ' PRO . 11.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 53' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.407 0.448 . . . . 0.0 112.526 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.94 93.32 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.375 -0.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.74 43.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.83 121.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.04 66.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.9 11.82 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -143.33 -178.39 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.78 28.92 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.614 HG21 ' OG ' ' A' ' 107' ' ' SER . 48.1 t -61.1 129.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -150.06 170.09 19.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.437 HG21 HG22 ' A' ' 112' ' ' VAL . 96.2 t -128.22 109.87 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -87.55 -76.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.53 143.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.443 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.93 142.16 15.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -38.24 -34.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -118.98 157.37 50.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.557 0.694 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.58 0.7 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 81' ' ' GLU . 47.1 p -141.41 168.36 19.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.155 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.664 HG23 HD21 ' A' ' 82' ' ' LEU . 6.5 pt -133.5 177.41 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -122.07 95.2 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.6 t -80.64 101.66 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.65 160.21 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.449 ' CE3' HG21 ' A' ' 95' ' ' VAL . 8.8 p90 -167.7 -178.61 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -120.55 110.12 35.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.78 15.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.89 38.81 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -41.75 141.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.0 mt -117.3 134.35 54.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 33.6 p -37.25 157.41 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.4 Cg_endo -69.67 12.12 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.42 ' H ' ' C ' ' A' ' 45' ' ' THR . 26.4 p -127.07 -13.59 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 98.67 63.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 48' ' ' GLY . 52.9 mt -157.36 127.01 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.47 ' HB2' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -100.79 100.21 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 71.94 25.11 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.72 -8.37 71.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . . . -96.81 155.0 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -94.14 86.57 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.586 HG13 HG22 ' A' ' 97' ' ' THR . 41.2 t -68.46 115.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.3 p -106.3 2.38 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 72' ' ' PHE . . . 155.64 -170.16 33.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.8 m-85 -120.58 173.24 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.999 0.428 . . . . 0.0 110.902 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.59 130.07 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.85 142.08 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 96' ' ' ARG . 51.6 m-85 -133.38 144.03 49.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -133.53 104.78 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.752 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.5 mmpt? 69.6 28.02 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.21 21.46 49.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -136.48 118.76 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -58.6 128.46 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.728 HG12 ' HB3' ' A' ' 84' ' ' ARG . 6.1 m -112.84 -28.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.615 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -146.52 168.85 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.68 123.3 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -110.79 121.76 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 71' ' ' ILE . 32.7 mm -77.89 45.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.79 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -135.63 112.02 10.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 53.3 Cg_endo -69.79 -22.86 31.35 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.512 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 51.8 p -105.43 23.41 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.79 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -75.14 145.66 41.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.15 -0.02 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 p -172.75 142.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -141.0 163.82 31.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.8 145.83 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.615 HG22 ' CB ' ' A' ' 68' ' ' ALA . 97.6 t -140.29 143.03 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 34' ' ' THR . 7.4 mt-10 -79.51 123.72 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 35' ' ' ILE . 92.6 mt -68.1 -33.27 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 2.6 p -53.44 -39.58 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HB3' HG12 ' A' ' 67' ' ' VAL . 34.6 mtt85 -61.71 -21.67 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.2 mt -87.35 -24.61 24.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -70.19 -50.92 35.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -54.01 -39.79 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 62' ' ' ALA . 4.7 mt -95.83 -11.92 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.0 mt-10 60.8 32.81 20.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.752 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -72.47 120.9 18.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -92.18 21.74 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.38 156.51 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.15 162.96 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.8 p -133.46 164.56 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.499 ' H ' ' HG ' ' A' ' 107' ' ' SER . 11.2 t -123.76 127.26 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 55.5 mtt180 -117.43 130.69 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.586 HG22 HG13 ' A' ' 55' ' ' VAL . 2.5 m -72.22 105.96 4.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 25.1 mt -76.19 139.5 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 p -150.27 178.11 9.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.27 -19.84 60.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -87.26 -39.99 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.0 166.16 16.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -71.33 157.26 38.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.6 p -105.33 177.29 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.8 m -54.17 162.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.52 118.94 23.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.614 ' OG ' HG21 ' A' ' 24' ' ' VAL . 97.2 p -54.67 176.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.97 105.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' A' ' 94' ' ' THR . 6.7 p -48.92 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.47 99.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.14 111.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 113' ' ' PRO . 90.5 t -65.4 138.84 97.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.71 144.85 55.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.719 ' O ' HG12 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.76 -19.96 35.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.53 -31.46 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.93 -34.87 17.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 114' ' ' PRO . 21.6 mt -61.85 -37.24 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.2 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.432 0.462 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.76 156.82 92.61 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.359 0.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 137.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 117.79 11.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 149.46 66.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.48 14.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -143.51 -178.52 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 55.98 37.52 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.653 HG21 ' OG ' ' A' ' 107' ' ' SER . 93.9 t -69.15 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.28 167.46 26.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 35' ' ' ILE . 75.5 t -124.83 114.46 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -94.27 -75.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.49 136.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.34 141.02 16.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 55.8 t -35.24 -31.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.6 p -115.2 157.04 44.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.53 21.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.68 7.02 30.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 81' ' ' GLU . 69.1 p -137.63 172.12 13.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.686 HG23 HD21 ' A' ' 82' ' ' LEU . 5.7 pt -136.81 171.19 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -118.05 100.93 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.86 99.41 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -94.46 142.51 27.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.717 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.8 p90 -149.78 -176.59 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -116.55 106.06 49.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 127.1 14.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 141.49 45.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -45.68 141.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 89.5 mt -116.53 132.28 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 30.7 p -37.47 157.84 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.586 0.708 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 13.44 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 45' ' ' THR . 80.7 p -128.05 -14.17 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.661 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 105.69 58.6 0.64 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.4 mt -155.72 130.8 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 18.7 t -83.54 -71.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -114.12 32.12 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.67 -16.2 48.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 101' ' ' GLN . . . -99.83 156.63 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.435 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.6 m120 -83.5 105.03 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -83.03 114.63 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -101.64 -13.68 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.86 -167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.475 ' CE1' HG23 ' A' ' 97' ' ' THR . 97.3 m-85 -123.74 174.46 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.33 135.76 6.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.666 HG11 HG21 ' A' ' 80' ' ' VAL . 63.4 t -100.14 135.95 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 33.4 m-85 -132.42 156.48 46.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -124.3 -69.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.743 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.8 mmpt? -123.02 44.58 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.07 63.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -132.68 113.72 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -50.35 107.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG2' HG12 ' A' ' 60' ' ' VAL . 4.0 m -85.98 -30.74 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.551 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -151.32 168.63 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -163.87 124.75 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.75 122.33 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 71' ' ' ILE . 23.0 mm -77.83 45.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.923 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.1 t80 -134.52 116.84 13.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -29.77 23.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.715 2.277 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.5 p -103.61 28.65 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.923 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -83.16 132.52 35.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -115.51 13.57 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.6 p -172.97 130.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 t -139.34 143.52 37.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.39 145.05 35.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.666 HG21 HG11 ' A' ' 60' ' ' VAL . 92.4 t -140.27 140.51 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -75.08 127.09 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.686 HD21 HG23 ' A' ' 35' ' ' ILE . 46.0 mt -72.79 -32.58 65.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.6 p -54.99 -41.15 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.505 ' HB3' HG12 ' A' ' 67' ' ' VAL . 40.4 mtp85 -58.03 -28.42 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.95 -22.73 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 3.5 mmm180 -72.74 -56.83 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.87 -39.86 27.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mt -92.27 -18.08 23.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 66.07 37.56 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.743 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.53 128.41 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -99.12 22.7 10.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.75 157.92 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.1 m -130.67 175.16 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 109' ' ' VAL . 44.2 p -145.81 174.09 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.717 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.73 126.75 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.536 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 24.5 mtp180 -117.9 133.23 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 58' ' ' TYR . 2.7 m -74.23 103.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 21.5 mt -76.45 140.61 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 12.5 p -154.5 167.15 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.0 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.439 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 78.9 mm-40 -74.57 -47.66 31.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.64 159.11 12.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -72.48 164.0 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.4 p -114.54 171.08 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.42 172.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.6 124.75 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 24' ' ' VAL . 80.8 p -55.8 178.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.88 113.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -52.58 104.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -85.72 98.96 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.94 111.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 113' ' ' PRO . 88.4 t -66.35 136.9 95.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.79 145.61 57.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.25 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.787 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.74 -25.25 28.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -63.72 -37.34 86.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.582 HD12 ' HG2' ' A' ' 113' ' ' PRO . 58.9 mt -81.0 -34.79 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 114' ' ' PRO . 29.2 mt -64.37 -40.47 95.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 121.375 0.431 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.59 87.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.34 0.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.58 25.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.06 119.69 7.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.703 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 153.08 69.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 169.98 17.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.85 179.35 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.05 39.41 29.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.734 HG12 ' HB2' ' A' ' 110' ' ' ALA . 82.0 t -71.57 133.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.24 169.43 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.493 HG21 HG22 ' A' ' 112' ' ' VAL . 38.6 t -128.12 112.42 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.692 ' O ' HD11 ' A' ' 116' ' ' LEU . 34.3 mm-40 -90.96 -76.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -176.23 137.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -87.74 140.56 16.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.4 t -33.41 -34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.9 p -115.41 157.99 42.61 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' C ' HD12 ' A' ' 82' ' ' LEU . . . -108.09 -0.87 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.1 p -134.16 162.34 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.57 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.3 pt -127.49 167.65 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 10.5 ttt-85 -113.76 103.02 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 t -87.28 102.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.3 162.17 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CE3' HG21 ' A' ' 95' ' ' VAL . 6.6 p90 -172.79 177.3 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -116.59 111.2 41.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 127.21 14.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 142.51 48.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.1 t -47.85 143.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 88.1 mt -119.43 132.23 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 27.4 p -37.56 158.02 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.572 0.701 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.75 13.97 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 45' ' ' THR . 47.2 p -126.02 -15.42 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.752 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 106.09 56.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 48' ' ' GLY . 15.5 mt -156.19 132.87 10.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 5.3 t -83.43 -64.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -124.99 34.83 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.86 -17.15 42.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.61 165.93 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -97.4 93.43 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.73 112.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.1 p -106.52 7.5 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.66 179.52 23.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.429 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -112.87 172.0 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 110.881 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.13 126.86 2.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 67' ' ' VAL . 48.7 t -91.86 139.05 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 27.0 m-85 -128.43 153.65 46.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -147.08 105.9 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.733 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 5.7 mmpt? 68.03 34.56 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 27.49 56.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.634 ' OE1' HD21 ' A' ' 88' ' ' LEU . 11.6 mt-30 -143.94 120.21 10.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 17.7 ttp-105 -60.24 127.61 32.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 84' ' ' ARG . 12.5 m -104.85 -33.67 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.628 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -145.27 177.36 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -169.96 120.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.8 p -109.19 120.17 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.7 mm -77.29 45.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.748 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -135.44 114.09 11.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 53.9 Cg_endo -69.75 -27.45 26.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.431 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.7 p -101.7 24.66 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.748 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -72.95 148.37 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -123.16 -7.52 8.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -165.57 139.76 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -140.79 149.76 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.99 146.77 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.628 HG22 ' CB ' ' A' ' 68' ' ' ALA . 91.5 t -141.72 142.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.652 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -76.5 122.55 24.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.7 HD23 HD12 ' A' ' 85' ' ' LEU . 9.2 mt -68.15 -32.67 73.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 81' ' ' GLU . 5.9 p -52.09 -39.78 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HB3' HG12 ' A' ' 67' ' ' VAL . 42.5 mtp85 -61.97 -25.21 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.7 HD12 HD23 ' A' ' 82' ' ' LEU . 3.5 mt -83.59 -24.56 31.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -70.77 -55.47 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -50.54 -38.21 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.634 HD21 ' OE1' ' A' ' 65' ' ' GLN . 3.1 mt -95.3 -13.31 24.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.6 mt-10 60.45 38.02 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.733 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.19 122.08 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -91.37 25.23 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.55 160.18 24.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -130.03 167.89 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 109' ' ' VAL . 25.9 p -138.54 171.71 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.551 HG21 ' CE3' ' A' ' 39' ' ' TRP . 19.1 t -134.19 127.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.407 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 18.3 mtp180 -117.4 132.9 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.0 m -72.78 102.69 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.3 mt -73.28 142.76 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.0 p -149.46 -179.76 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.68 43.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -88.06 -42.51 12.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.88 147.93 5.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.1 177.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.1 p -115.71 -179.16 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.89 174.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.89 120.84 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.606 ' OG ' HG21 ' A' ' 24' ' ' VAL . 80.9 p -56.98 177.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.6 110.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.7 p -52.4 104.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.734 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -81.03 98.42 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.77 113.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 26' ' ' VAL . 94.5 t -66.62 133.87 94.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.564 ' HG2' HD12 ' A' ' 116' ' ' LEU . 53.8 Cg_endo -69.81 145.74 57.81 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.584 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.78 -21.8 32.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.71 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' ' 27' ' ' GLN . 87.3 mt -91.24 -33.74 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.475 HD23 HD22 ' A' ' 82' ' ' LEU . 21.7 mt -63.27 -40.73 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.582 0.706 . . . . 0.0 111.184 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.433 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 121.425 0.458 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.433 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.82 150.04 89.67 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.78 41.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.51 118.74 17.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 147.79 63.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.74 18.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -141.57 -176.29 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 54.5 36.85 26.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.746 HG21 ' OG ' ' A' ' 107' ' ' SER . 40.4 t -69.47 125.07 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.15 155.19 42.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 112' ' ' VAL . 69.8 t -110.78 108.28 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -86.03 -75.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 135.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.01 141.73 18.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.47 -24.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.927 0.394 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLY . 5.2 p -120.83 156.71 56.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.72 12.57 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.95 3.29 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -133.41 169.21 17.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.712 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.2 pt -134.68 168.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -117.95 100.89 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.88 100.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -93.67 140.99 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' HG21 ' A' ' 95' ' ' VAL . 22.4 p90 -148.08 -175.23 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -121.4 105.71 38.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.85 20.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.71 45.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.56 136.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' THR . 89.5 mt -109.9 131.06 55.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.7 p -37.54 158.03 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.7 15.89 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 45' ' ' THR . 81.6 p -127.26 -16.72 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.755 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.41 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 48' ' ' GLY . 14.6 mt -156.42 135.81 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.5 t -88.44 -71.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 17' ' ' PRO . 52.6 t-20 -112.66 21.77 15.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.13 -18.44 11.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.508 ' HA ' ' NE2' ' A' ' 101' ' ' GLN . . . -98.62 168.42 10.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -97.11 96.74 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -67.02 113.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -108.64 7.57 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.66 179.98 26.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -118.31 175.86 5.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.36 131.84 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG11 HG21 ' A' ' 80' ' ' VAL . 16.5 t -96.94 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CG ' ' NH1' ' A' ' 96' ' ' ARG . 26.9 m-85 -138.96 150.76 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -113.04 -71.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.755 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 6.9 mmpt? -119.25 46.76 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.35 12.39 73.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -128.88 113.48 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 15.6 ttp-105 -46.75 116.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -99.62 -29.31 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.67 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.36 165.17 33.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.7 124.22 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.1 p -110.17 122.36 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.6 ' O ' HG22 ' A' ' 71' ' ' ILE . 32.6 mm -78.71 44.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.86 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -135.28 114.34 11.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.27 29.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.2 p -104.15 23.01 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.86 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.81 134.96 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.65 7.78 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.4 p -170.46 133.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.04 152.87 49.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.31 27.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 68' ' ' ALA . 86.9 t -137.86 141.48 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.38 127.65 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.712 HD21 ' CG2' ' A' ' 35' ' ' ILE . 58.5 mt -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.56 -38.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 88' ' ' LEU . 84.7 mtt-85 -60.16 -28.04 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.38 -21.74 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -71.22 -56.32 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.1 -40.25 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.1 mt -90.15 -15.7 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 62.61 36.24 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.755 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.77 129.39 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.99 20.07 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.41 155.25 23.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -131.33 174.83 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 109' ' ' VAL . 45.1 p -144.68 175.67 10.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.611 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.2 t -133.88 125.79 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.577 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 32.0 mtt85 -113.79 139.27 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 m -80.53 108.99 14.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.12 139.22 34.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.3 p -152.86 170.19 20.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.51 -26.87 67.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.91 -155.53 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -109.44 169.81 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 p -120.55 166.58 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.2 m -45.15 160.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' HB3' ' NH2' ' A' ' 96' ' ' ARG . 0.2 OUTLIER -81.0 128.67 33.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.746 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.0 p -59.76 179.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.96 110.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -50.34 105.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.27 97.85 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.77 109.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 113' ' ' PRO . 85.6 t -63.76 137.44 97.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.618 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.8 Cg_endo -69.69 145.26 57.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.655 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.77 -23.86 30.27 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.59 -36.77 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -82.77 -29.19 29.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 114' ' ' PRO . 22.3 mt -68.94 -37.1 78.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 114' ' ' PRO . 7.6 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 121.435 0.464 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.31 93.27 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.348 0.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 118.81 5.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.2 66.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.734 2.29 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 172.06 13.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -144.14 -179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 60.41 33.4 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG21 ' OG ' ' A' ' 107' ' ' SER . 59.0 t -66.1 127.42 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.98 158.84 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.474 HG13 ' HB ' ' A' ' 35' ' ' ILE . 85.3 t -115.12 112.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -91.81 -75.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.87 134.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -84.53 145.69 22.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -40.44 -30.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -119.17 157.57 50.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.03 3.99 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 81' ' ' GLU . 63.5 p -137.45 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.735 HG23 HD21 ' A' ' 82' ' ' LEU . 5.2 pt -137.57 174.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -123.4 99.4 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -83.05 100.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -93.22 141.69 28.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.744 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.9 p90 -149.39 -175.44 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -121.3 106.2 38.49 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.05 18.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.34 54.07 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.711 2.274 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.62 141.26 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 94.6 mt -114.36 133.53 55.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 24.5 p -37.55 158.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.7 14.98 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 66.9 p -127.65 -20.26 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.755 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 112.57 55.48 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.5 mt -155.76 129.84 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.3 t -82.68 -71.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -114.65 27.76 9.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.75 25.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.45 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -92.85 94.53 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.87 124.07 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.5 p -118.08 4.66 12.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.59 -174.28 34.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -121.87 173.42 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.06 133.8 5.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.866 HG11 HG21 ' A' ' 80' ' ' VAL . 60.0 t -99.74 131.52 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -129.97 150.87 51.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -116.17 -67.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.773 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.0 mmpt? -124.93 44.6 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.44 13.39 68.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -128.22 113.28 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -50.84 108.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 m -89.2 -38.84 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -144.12 165.95 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.32 123.03 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.97 122.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 71' ' ' ILE . 29.0 mm -78.31 45.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.917 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.9 t80 -133.51 115.54 13.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.71 0.767 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -28.83 24.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 p -104.11 28.5 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -83.26 133.32 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.67 11.0 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.808 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p -171.1 137.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 t -143.89 155.16 43.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.62 145.18 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.866 HG21 HG11 ' A' ' 60' ' ' VAL . 85.5 t -141.37 137.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.533 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.7 mt-10 -72.91 128.3 35.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 35' ' ' ILE . 51.8 mt -74.45 -31.0 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.7 p -56.21 -42.38 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 88' ' ' LEU . 47.3 mtp85 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 82' ' ' LEU . 9.5 mt -80.26 -27.07 38.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -68.2 -59.29 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -49.9 -40.19 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.3 mt -88.85 -17.92 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' LEU . 34.8 mt-10 64.48 38.04 7.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.773 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.5 126.67 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -98.44 26.37 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.15 158.53 22.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.34 171.64 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 109' ' ' VAL . 28.4 p -144.88 168.61 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.744 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.6 t -130.82 128.51 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -118.72 135.34 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 m -74.46 108.46 7.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 39.0 mt -82.06 139.66 34.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -150.79 175.86 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.34 67.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -81.68 -43.16 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.24 -153.59 23.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -110.48 173.68 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 p -122.45 170.19 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -47.97 164.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.91 122.55 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.47 ' OG ' HG21 ' A' ' 24' ' ' VAL . 35.8 p -56.7 178.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.19 108.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -50.11 104.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.444 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.58 98.32 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.4 113.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.657 HG13 ' HD2' ' A' ' 113' ' ' PRO . 84.3 t -65.82 138.62 96.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.657 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.8 145.61 57.46 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.1 Cg_endo -69.78 -22.47 31.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.5 pt-20 -70.97 -36.09 72.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 80.7 mt -80.0 -37.09 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 114' ' ' PRO . 22.4 mt -61.84 -33.76 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 114' ' ' PRO . 11.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.706 0.765 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 121.454 0.474 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 155.04 93.54 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.303 0.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 137.06 34.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.21 119.28 16.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.521 0.677 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.32 69.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 175.5 8.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -146.87 179.43 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 58.33 30.02 18.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.58 HG21 ' OG ' ' A' ' 107' ' ' SER . 47.5 t -63.06 127.64 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.33 166.27 28.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG13 ' HB ' ' A' ' 35' ' ' ILE . 87.4 t -120.28 112.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -91.73 -75.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.48 136.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.72 147.18 21.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -40.62 -25.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.414 . . . . 0.0 111.179 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.2 p -126.02 158.81 64.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.59 0.709 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.04 6.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.34 4.0 18.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 81' ' ' GLU . 35.9 p -138.25 173.13 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.821 HG23 HD21 ' A' ' 82' ' ' LEU . 9.6 pt -134.69 176.51 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -125.38 96.8 4.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.53 98.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 m -92.9 140.32 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.627 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.0 p90 -150.04 -177.08 5.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -118.51 107.8 42.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 128.72 16.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.91 49.13 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.52 144.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 50' ' ' SER . 87.6 mt -119.26 130.4 55.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 36.0 p -37.61 157.68 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.76 14.11 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.449 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.7 p -128.03 -8.0 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.696 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 97.14 61.55 0.94 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 48' ' ' GLY . 24.0 mt -158.0 126.66 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.512 ' HA ' HD23 ' A' ' 44' ' ' LEU . 43.4 t -76.06 -75.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -113.84 30.12 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 -14.15 33.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.07 156.98 17.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.1 m-20 -85.09 98.19 10.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.2 t -76.26 120.94 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.72 -12.87 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.54 -166.68 39.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -122.85 173.98 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.93 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.2 129.63 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.437 HG12 ' CG2' ' A' ' 67' ' ' VAL . 48.2 t -94.33 140.48 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -131.27 156.07 46.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.535 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -148.77 105.0 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.698 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.4 mmpt? 68.62 31.74 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.9 26.61 48.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' A' ' 88' ' ' LEU . 8.5 mt-30 -142.5 117.68 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 19.0 ttp-105 -58.9 127.95 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.467 HG12 ' HB3' ' A' ' 84' ' ' ARG . 7.2 m -105.95 -24.46 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.515 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -159.04 173.35 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -165.56 122.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -107.18 123.15 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.606 ' O ' HG22 ' A' ' 71' ' ' ILE . 32.5 mm -79.8 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.862 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 t80 -132.67 115.12 14.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -27.98 25.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.527 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 76.0 p -102.93 26.01 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.862 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.39 136.72 36.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -116.82 8.32 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.3 p -169.25 136.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -140.34 146.24 38.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.32 144.55 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 68' ' ' ALA . 98.5 t -142.68 141.45 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' HG22 ' A' ' 34' ' ' THR . 6.1 mt-10 -75.11 126.64 31.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.821 HD21 HG23 ' A' ' 35' ' ' ILE . 50.9 mt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.491 ' HA ' ' CG ' ' A' ' 86' ' ' ARG . 5.2 p -53.25 -43.55 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' N ' HG13 ' A' ' 83' ' ' VAL . 50.9 mtp85 -54.62 -37.51 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.5 mt -71.87 -13.41 61.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.879 ' CZ ' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -83.35 -54.24 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -51.4 -28.9 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 62' ' ' ALA . 3.1 mt -105.46 -13.02 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 63.45 36.78 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.698 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -77.83 125.98 30.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -97.0 23.52 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.6 161.11 28.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 m -130.59 166.06 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.9 p -137.0 168.81 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.627 HG21 ' CE3' ' A' ' 39' ' ' TRP . 10.8 t -133.39 123.33 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -115.51 133.27 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -72.74 112.37 8.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 138.61 32.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.3 p -148.37 166.12 29.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.16 -30.39 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -77.53 -45.15 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.97 -152.76 20.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -112.37 170.05 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 105' ' ' VAL . 3.3 t -116.19 174.68 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.413 ' N ' ' OG ' ' A' ' 104' ' ' SER . 32.5 m -54.58 163.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.51 120.62 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.58 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.5 p -57.81 175.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.44 113.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -54.44 104.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -79.54 98.02 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.13 111.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 113' ' ' PRO . 93.9 t -67.97 138.44 92.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.73 144.11 53.13 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.457 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.76 -17.62 37.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.326 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.86 -37.53 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.81 -30.88 45.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.879 HD22 ' CZ ' ' A' ' 86' ' ' ARG . 46.2 mt -66.19 -40.97 90.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 114' ' ' PRO . 7.1 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 121.439 0.466 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.414 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.3 Cg_endo -69.72 151.68 91.54 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.334 0.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.75 36.16 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.9 117.15 8.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 149.58 67.59 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 171.33 14.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -142.9 -177.12 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 54.24 35.72 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 ' OG ' ' A' ' 107' ' ' SER . 63.3 t -68.19 129.14 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.71 169.68 19.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG13 ' HB ' ' A' ' 35' ' ' ILE . 76.2 t -123.24 110.04 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -88.33 -75.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.25 138.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.463 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -90.54 142.44 16.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -38.98 -29.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 29' ' ' GLY . 6.3 p -119.07 156.62 52.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -3.4 11.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.15 -5.11 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 81' ' ' GLU . 66.2 p -131.22 167.92 18.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.637 ' CG2' HD21 ' A' ' 82' ' ' LEU . 7.5 pt -131.93 179.43 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -125.64 104.59 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.72 102.45 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -95.0 139.05 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.502 ' CE3' HG21 ' A' ' 95' ' ' VAL . 21.4 p90 -147.13 -178.61 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -117.21 105.04 49.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.23 17.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 138.72 38.54 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.76 134.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.2 mt -107.08 135.69 48.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 23.6 p -42.21 158.5 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.75 13.16 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.8 p -127.53 -11.69 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.718 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.19 62.11 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 48' ' ' GLY . 18.1 mt -157.36 128.45 6.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 31.4 t -79.73 -69.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -118.83 32.73 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.49 -11.89 47.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.556 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB1' ' OE1' ' A' ' 101' ' ' GLN . . . -103.39 155.0 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' HB2' ' A' ' 99' ' ' SER . 4.0 m120 -82.46 91.51 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.3 119.98 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.45 -13.62 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.45 -164.26 36.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 89.4 m-85 -124.89 173.9 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.55 129.23 3.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG12 ' CG2' ' A' ' 67' ' ' VAL . 47.7 t -94.13 143.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -139.17 149.72 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -118.32 -73.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.748 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.0 mmpt? -118.98 46.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 14.25 70.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -131.88 113.3 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 39.3 ttp180 -47.88 114.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.773 HG12 HH11 ' A' ' 84' ' ' ARG . 3.4 m -93.99 -31.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.29 165.75 33.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 10.2 pt-20 -162.69 124.37 2.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -110.38 123.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 71' ' ' ILE . 14.0 mm -77.84 46.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.871 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 t80 -135.63 114.7 11.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.31 26.64 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.9 p -103.2 25.15 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.26 137.9 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.01 11.23 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.1 p -172.19 129.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.15 153.54 50.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 144.28 27.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.44 142.76 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.556 ' HA ' HG22 ' A' ' 34' ' ' THR . 3.9 mt-10 -80.59 124.81 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.637 HD21 ' CG2' ' A' ' 35' ' ' ILE . 82.4 mt -71.53 -31.18 66.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.3 p -56.76 -41.25 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.773 HH11 HG12 ' A' ' 67' ' ' VAL . 7.5 mtp-105 -59.55 -24.32 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 82' ' ' LEU . 6.8 mt -83.4 -26.48 30.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -67.61 -57.64 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -49.29 -38.65 28.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.5 mt -92.2 -18.16 23.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' LEU . 30.1 mt-10 65.39 38.07 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.748 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.75 126.82 32.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -98.16 18.81 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.73 158.05 30.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.7 170.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.6 p -143.04 173.56 11.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.502 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.2 t -136.1 131.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -123.32 131.57 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.2 m -73.12 111.0 7.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.06 141.15 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 97.8 p -151.06 179.3 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.78 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.555 ' OE1' ' HB1' ' A' ' 53' ' ' ALA . 17.3 mp0 -73.93 -47.77 35.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.78 -136.59 4.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -122.31 170.04 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 t -118.31 171.59 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -52.28 163.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.59 122.96 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.435 ' OG ' HG21 ' A' ' 24' ' ' VAL . 21.2 p -57.43 -178.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.09 112.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.068 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -54.2 105.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.69 98.14 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.54 111.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 113' ' ' PRO . 94.1 t -65.32 138.03 96.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.3 Cg_endo -69.74 145.12 56.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.434 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.4 Cg_endo -69.77 -19.04 36.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -74.15 -35.5 64.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.6 mt -80.57 -33.67 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 114' ' ' PRO . 27.3 mt -65.13 -30.77 71.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.147 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 121.393 0.441 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.82 148.56 87.11 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.342 0.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.86 43.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.05 119.77 24.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.24 66.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.84 13.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -144.28 178.14 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 62.68 25.68 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.607 HG21 ' OG ' ' A' ' 107' ' ' SER . 44.0 t -58.29 127.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 165.39 31.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 116' ' ' LEU . 85.4 t -121.29 113.71 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.07 -75.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.93 138.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.6 141.07 16.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLY . 65.3 t -37.89 -29.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.5 p -119.91 158.19 50.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.564 0.697 . . . . 0.0 111.167 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.53 16.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.9 8.13 26.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.524 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.8 p -140.66 171.76 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.771 ' CG2' HD21 ' A' ' 82' ' ' LEU . 7.0 pt -135.58 179.3 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -128.12 100.63 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.36 99.07 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -91.87 145.38 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.1 p90 -152.06 -175.12 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -120.97 104.72 41.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.8 15.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.1 69.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.2 136.62 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 50' ' ' SER . 81.8 mt -110.12 131.62 54.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.4 p -37.44 157.65 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.547 0.689 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 14.21 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.389 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.449 ' H ' ' C ' ' A' ' 45' ' ' THR . 64.0 p -127.06 -11.39 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.49 59.27 0.79 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 48' ' ' GLY . 14.9 mt -156.5 135.19 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.441 ' HB2' HG21 ' A' ' 55' ' ' VAL . 10.8 t -85.46 -72.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -114.38 20.36 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.15 -11.37 11.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.97 161.58 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -87.56 94.68 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 73' ' ' PRO . 57.9 t -68.15 111.51 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.5 p -104.73 -5.32 21.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.6 -174.34 38.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.9 m-85 -117.66 174.55 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.85 132.76 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 80' ' ' VAL . 28.7 t -100.14 138.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 90.4 m-85 -137.07 154.43 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -121.17 -70.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.777 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.6 mmpt? -122.06 46.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.74 9.37 71.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -129.52 113.61 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 30.8 ttp180 -50.76 112.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.613 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.3 m -87.43 -26.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.578 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -158.13 176.37 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -169.27 131.88 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.18 123.18 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 71' ' ' ILE . 21.8 mm -79.05 45.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.801 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.5 t80 -135.43 113.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HB3' HG12 ' A' ' 55' ' ' VAL . 53.6 Cg_endo -69.84 -23.95 29.88 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.0 p -104.81 24.11 12.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.801 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -77.5 145.72 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.72 -1.42 10.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.3 m -168.18 138.51 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 t -139.41 143.04 37.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.07 143.75 39.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.65 HG21 HG11 ' A' ' 60' ' ' VAL . 87.4 t -139.53 140.85 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.524 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.1 mt-10 -75.13 130.01 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.771 HD21 ' CG2' ' A' ' 35' ' ' ILE . 60.6 mt -75.98 -28.78 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.35 -37.78 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.613 ' HB3' HG12 ' A' ' 67' ' ' VAL . 40.7 mtp85 -62.3 -21.07 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.2 mt -88.98 -26.05 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -67.1 -54.5 20.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.64 -36.98 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.6 mt -94.1 -14.29 25.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' LEU . 39.4 mt-10 62.33 37.12 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.777 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.16 133.45 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -105.57 15.02 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.69 153.65 23.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.59 168.55 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 109' ' ' VAL . 21.7 p -137.78 168.43 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.47 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.8 t -131.88 119.22 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -112.14 132.44 54.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 m -70.4 112.38 6.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.8 mt -84.15 145.66 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.1 p -157.17 168.25 27.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.91 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 17.1 mp0 -72.75 -44.35 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.66 -153.37 22.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -109.98 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -120.35 175.23 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.6 m -55.4 162.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.73 122.55 27.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.607 ' OG ' HG21 ' A' ' 24' ' ' VAL . 85.9 p -58.8 175.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 103.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -45.05 104.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.48 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -80.69 98.47 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.1 112.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' HD2' ' A' ' 113' ' ' PRO . 87.7 t -63.84 136.52 96.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.8 Cg_endo -69.76 144.81 55.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.48 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.77 -15.06 36.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -77.02 -35.89 56.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.456 HD12 ' CG ' ' A' ' 113' ' ' PRO . 85.8 mt -76.11 -35.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 114' ' ' PRO . 8.2 mt -70.56 -27.53 64.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.855 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 121.47 0.484 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.29 91.36 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.318 0.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 142.11 47.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 118.67 32.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.444 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 54.0 Cg_endo -69.74 147.55 63.23 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -142.91 -175.07 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.19 34.92 21.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' OG ' ' A' ' 107' ' ' SER . 43.4 t -66.55 134.71 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -153.65 169.44 23.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 35' ' ' ILE . 87.4 t -126.71 111.92 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.7 -75.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.84 138.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -89.47 140.17 15.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 62.1 t -35.06 -31.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -115.75 157.18 45.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.43 16.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.264 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.97 5.72 24.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.2 p -135.99 171.5 14.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.623 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.7 pt -137.2 169.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -117.38 100.94 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.7 t -83.35 99.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -92.77 141.06 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.481 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 23.4 p90 -147.92 -178.9 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -117.11 107.46 45.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.7 13.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.94 36.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -40.34 142.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 96.2 mt -117.21 134.93 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.484 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 25.9 p -37.91 158.02 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.578 0.704 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.78 12.13 0.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 45' ' ' THR . 42.5 p -126.79 -15.32 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.3 61.31 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.0 mt -154.34 131.7 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.577 ' HB2' HG21 ' A' ' 55' ' ' VAL . 2.6 t -103.77 98.44 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 71.52 24.99 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.37 -10.09 65.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.05 155.01 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.405 ' C ' ' HB2' ' A' ' 99' ' ' SER . 16.5 t-20 -94.18 85.95 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' A' ' 50' ' ' SER . 48.9 t -66.09 114.37 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.6 p -112.65 3.0 16.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.43 178.93 32.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' HG23 ' A' ' 97' ' ' THR . 96.6 m-85 -117.89 173.67 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.945 0.403 . . . . 0.0 110.958 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.87 137.2 6.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG11 HG21 ' A' ' 80' ' ' VAL . 17.1 t -101.2 140.16 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -133.79 141.83 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -110.65 -72.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.919 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 23.4 mmmt -119.74 46.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.14 16.95 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.407 ' NE2' HD21 ' A' ' 88' ' ' LEU . 76.3 mt-30 -134.5 112.13 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' CZ ' ' OE1' ' A' ' 69' ' ' GLU . 35.1 ttp180 -48.05 119.86 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 84' ' ' ARG . 14.1 m -101.38 -35.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.648 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -144.56 165.28 28.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE1' ' CZ ' ' A' ' 66' ' ' ARG . 6.2 pt-20 -160.78 126.04 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.8 p -111.91 121.0 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.082 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.499 ' O ' HG22 ' A' ' 71' ' ' ILE . 23.9 mm -78.3 44.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.872 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -133.02 115.27 14.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.87 28.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.544 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 13.2 p -104.15 23.83 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.872 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.32 135.42 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -119.45 10.48 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.0 p -172.58 130.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -137.61 156.11 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.92 145.88 25.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.648 HG22 ' CB ' ' A' ' 68' ' ' ALA . 91.4 t -143.13 139.39 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.8 127.94 34.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.623 HD21 ' CG2' ' A' ' 35' ' ' ILE . 47.1 mt -74.61 -31.63 62.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.95 -38.85 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 67' ' ' VAL . 52.7 mtt-85 -60.01 -29.17 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.9 mt -79.83 -21.72 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -71.11 -55.5 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.77 -39.59 58.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD21 ' NE2' ' A' ' 65' ' ' GLN . 4.4 mt -90.87 -17.6 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.0 mt-10 64.68 36.1 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.919 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -73.99 134.02 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -103.91 14.97 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.32 156.11 24.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.0 m -127.82 167.28 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 109' ' ' VAL . 31.1 p -137.99 174.99 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.444 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.6 t -135.34 122.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -113.48 133.4 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 58' ' ' TYR . 2.4 m -73.54 110.8 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -84.81 144.29 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.405 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 95.9 p -155.81 -179.34 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -72.97 -50.67 21.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.97 -144.82 8.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -115.35 161.42 18.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.6 p -111.76 171.12 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 20' ' ' PRO . 34.1 m -47.4 164.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.75 124.92 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.8 p -58.6 176.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.72 109.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.9 p -51.97 104.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.76 98.27 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.16 113.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 113' ' ' PRO . 59.2 t -66.5 137.28 95.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.72 145.95 58.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.393 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.62 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.4 Cg_endo -69.82 -25.57 28.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.7 pt-20 -66.57 -31.54 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 66.5 mt -87.17 -32.42 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 114' ' ' PRO . 18.7 mt -67.94 -40.08 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 114' ' ' PRO . 9.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 121.436 0.464 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.81 154.75 93.5 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.329 0.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 131.65 21.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.0 117.85 4.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.96 66.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.6 14.16 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -143.1 -178.72 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.55 35.11 25.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 110' ' ' ALA . 67.9 t -67.43 128.72 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.09 168.27 22.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 ' HB ' ' A' ' 35' ' ' ILE . 91.2 t -121.9 113.94 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -94.07 -75.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 136.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.07 141.12 16.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.9 t -36.15 -30.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' GLY . 4.5 p -117.75 156.92 49.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.62 8.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.78 6.67 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 81' ' ' GLU . 57.8 p -137.16 171.17 14.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.651 HG23 HD21 ' A' ' 82' ' ' LEU . 5.1 pt -135.19 169.0 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -117.92 102.44 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.8 t -82.98 100.33 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 m -93.29 142.59 27.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.2 p90 -151.49 -176.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -120.79 106.17 39.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 142.08 47.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.89 137.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 90.9 mt -112.02 131.32 55.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.8 p -37.35 157.99 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 15.27 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 45' ' ' THR . 40.7 p -127.26 -16.33 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.547 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.01 56.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 54' ' ' ASN . 14.2 mt -154.77 134.05 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 12.9 t -84.1 -72.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.817 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -114.86 34.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.65 -18.23 44.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.04 154.77 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.613 ' HA ' HD23 ' A' ' 49' ' ' LEU . 4.0 t-20 -82.45 104.03 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 73' ' ' PRO . 35.4 t -75.47 113.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -108.64 6.8 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.39 -173.83 29.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.2 m-85 -120.94 173.78 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.872 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.08 131.32 4.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 HG21 ' A' ' 80' ' ' VAL . 18.0 t -98.97 141.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -137.12 148.51 46.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.42 -75.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.765 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.0 mmpt? -118.65 50.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.85 15.11 76.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.18 112.84 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -48.62 115.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.623 HG12 HH11 ' A' ' 84' ' ' ARG . 14.1 m -95.45 -37.87 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -143.63 164.82 29.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -161.37 121.98 2.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.47 123.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 71' ' ' ILE . 30.3 mm -78.45 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.884 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.6 t80 -134.11 114.23 12.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HB3' HG12 ' A' ' 55' ' ' VAL . 54.0 Cg_endo -69.77 -27.9 25.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.3 p -103.87 27.35 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.884 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.68 144.37 32.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -123.11 5.4 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.6 p -169.84 134.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -139.43 156.98 46.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.83 145.17 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.715 HG22 ' CB ' ' A' ' 68' ' ' ALA . 60.6 t -140.92 140.07 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.516 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.5 mt-10 -74.63 126.79 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 35' ' ' ILE . 30.4 mt -73.01 -31.33 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.64 -38.49 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.623 HH11 HG12 ' A' ' 67' ' ' VAL . 6.3 mtp-105 -62.47 -21.15 65.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 82' ' ' LEU . 10.8 mt -88.36 -27.23 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -66.53 -57.46 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.81 -38.22 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.1 mt -91.74 -15.26 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.3 mm-40 61.37 38.57 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.765 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -79.97 131.47 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -103.38 25.36 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.9 151.54 10.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.23 171.06 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 109' ' ' VAL . 30.3 p -143.62 171.66 13.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.582 HG21 ' CE3' ' A' ' 39' ' ' TRP . 13.1 t -133.16 132.04 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -122.67 135.07 54.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.9 m -74.03 108.4 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 44.8 mt -77.75 145.42 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.9 p -162.53 161.39 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.22 -31.48 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.449 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 12.6 mp0 -75.02 -44.63 46.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.06 170.63 25.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -78.0 173.9 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.3 p -123.02 167.87 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.8 m -46.16 163.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.89 122.48 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.519 ' OG ' HG21 ' A' ' 24' ' ' VAL . 55.4 p -57.03 177.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.4 114.24 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.0 p -53.97 105.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -82.07 98.13 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.39 109.54 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 113' ' ' PRO . 62.0 t -64.71 136.89 96.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.75 144.6 54.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.618 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.79 -26.09 27.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.03 -36.62 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.2 mt -82.39 -25.86 33.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 114' ' ' PRO . 31.8 mt -69.87 -39.75 76.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 111.182 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.412 0.451 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.1 Cg_endo -69.76 154.47 93.28 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.317 0.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 135.73 31.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.38 120.04 19.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.93 65.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 173.09 11.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.1 178.63 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.07 35.34 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.673 HG21 ' OG ' ' A' ' 107' ' ' SER . 30.8 t -70.87 128.93 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 165.94 30.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.623 HG21 HG22 ' A' ' 112' ' ' VAL . 58.5 t -120.36 111.4 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' HD11 ' A' ' 116' ' ' LEU . 34.7 mm-40 -89.75 -75.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.78 140.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.99 142.05 15.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.0 t -34.9 -32.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.1 p -115.82 157.13 45.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.557 0.694 . . . . 0.0 111.098 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.16 6.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.405 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.97 4.18 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 81' ' ' GLU . 70.0 p -133.38 164.34 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.769 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.1 pt -129.8 166.56 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -116.42 108.69 16.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 t -89.71 98.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.9 m -92.96 137.08 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.6 p90 -147.86 -178.29 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -118.47 106.35 44.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.19 17.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.28 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.6 63.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.0 t -48.89 144.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 50' ' ' SER . 81.7 mt -120.81 129.64 53.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 37.7 p -37.1 157.61 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.544 0.687 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.81 16.91 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -128.46 -14.42 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 105.34 57.86 0.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 54' ' ' ASN . 10.1 mt -152.47 141.08 20.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.601 ' HA ' HD23 ' A' ' 44' ' ' LEU . 22.7 t -88.59 -74.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -114.91 32.68 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.25 -10.97 43.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 101' ' ' GLN . . . -105.49 155.45 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.1 m-20 -81.01 103.73 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.24 118.2 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.5 p -102.7 -15.66 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.21 -165.45 38.9 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.413 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 m-85 -122.28 174.56 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.955 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.09 132.14 3.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.441 HG12 ' CG2' ' A' ' 67' ' ' VAL . 52.1 t -96.92 139.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -131.35 153.25 49.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.58 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -147.42 109.4 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.793 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.2 mmpt? 66.95 29.32 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.7 26.62 49.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -140.75 118.78 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -58.4 128.4 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.494 HG12 ' HB3' ' A' ' 84' ' ' ARG . 9.5 m -107.02 -29.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.525 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -154.9 177.99 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -170.43 120.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -105.52 122.24 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 71' ' ' ILE . 34.3 mm -78.35 45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.879 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -133.78 115.71 13.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -26.28 27.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 18.0 p -104.76 25.31 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -81.43 135.21 35.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -120.11 15.64 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.7 p -172.23 132.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -141.76 147.01 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.23 142.99 29.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.525 HG22 ' HB3' ' A' ' 68' ' ' ALA . 93.2 t -140.71 142.79 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HB3' HG12 ' A' ' 83' ' ' VAL . 6.0 mt-10 -76.57 121.66 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.769 HD21 ' CG2' ' A' ' 35' ' ' ILE . 10.3 mt -67.15 -33.38 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 81' ' ' GLU . 5.6 p -51.11 -39.61 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.494 ' HB3' HG12 ' A' ' 67' ' ' VAL . 51.6 mtp85 -61.32 -25.94 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.661 HD12 HD23 ' A' ' 82' ' ' LEU . 4.6 mt -82.1 -24.48 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -71.12 -55.66 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -51.93 -40.55 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 62' ' ' ALA . 3.5 mt -91.27 -13.07 33.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 60.08 36.73 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -76.43 122.24 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -92.01 26.31 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.39 161.01 25.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.02 166.44 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 109' ' ' VAL . 21.8 p -139.88 157.82 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.72 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.2 t -120.61 126.61 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -115.69 130.28 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -71.74 107.96 4.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 24.1 mt -78.98 138.48 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 p -155.19 167.48 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.01 -36.06 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.416 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 5.4 mp0 -70.38 -47.15 62.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.56 163.01 14.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -67.45 172.04 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.9 t -118.88 171.28 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.7 m -53.34 163.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 119.2 22.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.673 ' OG ' HG21 ' A' ' 24' ' ' VAL . 93.8 p -56.13 177.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.53 102.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -43.9 102.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.413 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -78.24 98.39 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.68 112.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 113' ' ' PRO . 92.3 t -68.25 138.49 91.92 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.615 0.721 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.74 144.92 55.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.579 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.74 -14.87 36.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.362 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -74.9 -37.47 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 27' ' ' GLN . 73.9 mt -82.43 -26.81 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 114' ' ' PRO . 35.2 mt -67.4 -37.19 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 121.385 0.436 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.73 151.05 91.02 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.312 -0.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 140.98 44.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.31 118.91 24.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.15 69.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 172.02 13.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -142.22 -178.82 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.67 37.78 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' A' ' 110' ' ' ALA . 86.7 t -67.33 132.78 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -150.91 170.26 19.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 25' ' ' THR . 96.1 t -128.18 112.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.88 -75.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.0 140.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.99 140.15 15.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 94.1 t -35.76 -30.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.1 p -120.75 157.76 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.36 3.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.74 6.42 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.8 p -141.17 168.58 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 82' ' ' LEU . 4.2 pt -132.93 168.45 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -116.53 96.54 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 t -81.71 100.5 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.21 160.7 16.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.442 ' CE3' HG21 ' A' ' 95' ' ' VAL . 11.6 p90 -169.0 179.01 4.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 6.0 mmm180 -114.97 106.93 50.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 127.52 14.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.29 50.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.1 m -47.33 149.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 92.0 mt -124.42 131.85 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 24.9 p -38.13 158.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.73 13.35 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.441 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -126.84 -12.02 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.732 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.96 61.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.7 mt -156.78 131.54 8.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 32.5 t -83.15 -75.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -110.56 26.96 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.83 -13.04 29.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.47 163.47 12.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -90.38 91.32 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.39 118.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -106.35 -10.13 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.03 -173.91 40.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -117.48 172.68 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.92 130.8 4.02 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.652 HG11 HG21 ' A' ' 80' ' ' VAL . 40.0 t -94.09 139.84 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -136.64 155.85 49.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -122.95 -69.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.9 mmpt? -122.86 46.67 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.81 12.15 72.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -130.4 112.71 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -51.48 114.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 84' ' ' ARG . 3.6 m -93.82 -25.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.837 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -154.63 164.18 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.39 125.02 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.63 120.93 60.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 71' ' ' ILE . 15.9 mm -77.82 45.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.814 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -135.67 115.19 11.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -26.15 27.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.54 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 p -104.71 27.08 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.814 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.52 141.59 38.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -116.51 -4.97 11.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -164.8 137.52 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -138.72 146.9 42.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.36 146.5 28.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.837 HG22 ' CB ' ' A' ' 68' ' ' ALA . 99.2 t -140.45 143.87 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.6 mt-10 -76.45 129.54 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 35' ' ' ILE . 33.2 mt -75.65 -32.13 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 3.9 p -55.52 -41.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.523 ' HB3' HG12 ' A' ' 67' ' ' VAL . 33.2 mtp85 -60.68 -23.55 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 82' ' ' LEU . 13.2 mt -85.24 -23.04 28.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -71.57 -53.07 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -52.3 -34.33 46.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 84' ' ' ARG . 2.7 mt -96.52 -15.73 21.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 62.83 38.26 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.74 134.74 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -103.95 11.84 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.0 159.33 31.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.2 m -131.1 164.53 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 109' ' ' VAL . 22.4 p -138.14 170.44 16.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.442 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.6 t -131.99 130.89 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -121.79 132.85 54.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.3 m -75.6 109.35 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 103' ' ' GLU . 17.7 mt -82.58 150.3 26.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.436 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 69.1 p -164.93 179.36 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.54 -34.95 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.37 -52.0 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.08 -175.12 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 98' ' ' LEU . 17.5 mt-10 -86.17 160.36 19.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.7 p -109.26 168.62 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.6 m -49.04 164.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.63 120.61 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.517 ' OG ' HG21 ' A' ' 24' ' ' VAL . 58.8 p -56.25 -179.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.38 112.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.8 p -52.79 105.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.05 99.14 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.56 111.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 113' ' ' PRO . 88.6 t -65.69 136.12 95.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.83 144.19 52.87 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.4 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -75.56 -32.93 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 113' ' ' PRO . 90.8 mt -82.54 -28.3 31.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 114' ' ' PRO . 27.6 mt -72.09 -36.47 69.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.828 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.438 0.466 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.4 Cg_endo -69.75 147.79 85.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.32 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 133.99 26.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.31 119.53 9.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.41 69.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.53 12.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -144.98 -177.67 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 57.47 29.66 17.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG21 ' OG ' ' A' ' 107' ' ' SER . 62.1 t -62.89 128.6 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -146.66 170.14 17.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.473 HG13 ' HB ' ' A' ' 35' ' ' ILE . 55.8 t -127.17 111.74 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -91.43 -75.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.98 143.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.81 143.84 16.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' GLY . 61.4 t -36.58 -34.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.4 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.7 p -114.8 156.98 44.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 0.08 6.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.42 3.52 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -138.96 169.76 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.625 HG23 HD21 ' A' ' 82' ' ' LEU . 4.2 pt -134.39 174.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -119.75 107.46 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 t -89.88 99.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 m -94.77 142.53 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.759 ' CE3' HG21 ' A' ' 95' ' ' VAL . 18.2 p90 -149.34 -175.53 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.8 mmm-85 -120.12 106.91 40.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.26 17.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.58 40.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -45.39 142.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 50' ' ' SER . 85.0 mt -117.37 130.91 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.478 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.9 p -37.48 157.82 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.691 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.83 13.6 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.626 2.217 . . . . 0.0 112.351 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.442 ' H ' ' C ' ' A' ' 45' ' ' THR . 43.2 p -127.21 -10.39 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 100.67 59.97 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 48' ' ' GLY . 20.8 mt -156.85 125.29 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.602 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.7 t -76.21 -70.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -117.5 32.42 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.08 -12.14 40.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.07 11.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.335 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.17 111.53 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 97' ' ' THR . 49.0 t -87.83 118.71 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -101.52 -15.49 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.84 41.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -121.47 174.57 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.76 140.02 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 68' ' ' ALA . 90.2 t -106.29 140.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 4.7 m-85 -139.36 151.91 46.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.13 -75.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 4.4 mmpt? -114.13 37.73 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.12 8.95 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.691 ' OE1' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -121.68 135.68 54.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 16.8 ttm180 -73.58 98.81 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 68' ' ' ALA . 30.1 m -79.67 -42.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . . . -129.93 170.99 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -168.81 122.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.2 p -110.77 123.23 66.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 71' ' ' ILE . 29.2 mm -78.34 44.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.898 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -133.76 114.69 13.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -24.95 29.48 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.4 p -104.99 21.78 16.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.898 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.18 134.56 36.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.34 17.92 12.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.8 p -175.02 131.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.1 t -143.05 150.77 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.01 143.28 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 60' ' ' VAL . 93.0 t -136.99 138.14 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.01 127.83 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.625 HD21 HG23 ' A' ' 35' ' ' ILE . 39.9 mt -74.17 -29.98 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.4 p -57.47 -44.46 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.494 ' N ' HG13 ' A' ' 83' ' ' VAL . 82.5 mtt-85 -54.35 -32.15 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.77 -28.95 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -67.6 -54.73 17.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -52.54 -39.12 61.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.691 HD11 ' OE1' ' A' ' 65' ' ' GLN . 1.3 mt -89.8 -12.47 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 60.8 36.98 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -86.13 142.64 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -107.45 10.55 29.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -165.88 161.78 35.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.69 175.75 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 109' ' ' VAL . 23.4 p -144.25 163.45 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.759 HG21 ' CE3' ' A' ' 39' ' ' TRP . 18.1 t -125.33 126.09 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -117.19 136.34 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.445 HG22 HG13 ' A' ' 55' ' ' VAL . 2.9 m -74.73 110.89 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.8 mt -79.13 136.4 37.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 p -149.75 172.26 15.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.59 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -74.36 -48.84 25.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.05 31.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -74.94 163.65 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.6 p -110.81 164.06 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.8 m -43.31 161.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 120.81 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.613 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.4 p -55.16 177.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.61 109.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.6 p -48.97 104.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.548 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -81.09 98.66 8.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.77 112.78 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.4 t -66.8 136.68 94.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.75 144.92 55.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.28 37.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -74.33 -38.92 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 113' ' ' PRO . 65.9 mt -77.95 -35.15 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.25 -35.22 78.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 111.166 179.804 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 121.438 0.466 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.92 92.85 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.346 0.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 136.64 33.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 120.78 18.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.69 69.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 170.59 16.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.636 2.224 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -140.01 -177.41 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 55.37 37.09 28.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.653 HG21 ' OG ' ' A' ' 107' ' ' SER . 75.4 t -69.06 132.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -153.73 170.33 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG21 HG22 ' A' ' 112' ' ' VAL . 77.0 t -124.56 110.31 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -89.51 -75.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -86.4 143.3 19.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 85.2 t -35.64 -37.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -116.46 157.35 45.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.197 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.1 2.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.376 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.7 2.96 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.04 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 81' ' ' GLU . 64.5 p -139.58 172.91 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.778 HG23 HD21 ' A' ' 82' ' ' LEU . 3.4 pt -134.61 168.63 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -116.36 95.36 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -78.07 101.32 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 m -94.9 144.05 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.638 ' CE3' HG21 ' A' ' 95' ' ' VAL . 16.5 p90 -151.56 -175.24 5.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -118.48 106.38 44.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 125.98 12.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.19 69.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.14 146.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 91.8 mt -120.01 130.95 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.49 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.8 p -37.59 158.19 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.512 0.672 . . . . 0.0 111.193 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.0 Cg_endo -69.79 15.89 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.2 p -127.4 -18.79 4.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 110.07 52.58 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 54' ' ' ASN . 13.6 mt -152.69 133.03 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -81.39 -73.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -115.23 30.87 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.56 -17.9 30.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.07 154.68 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.546 ' HA ' HD23 ' A' ' 49' ' ' LEU . 4.1 t-20 -84.95 85.69 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.12 111.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.4 p -104.26 -6.27 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -175.26 38.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.425 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -118.08 173.71 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.31 132.74 4.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.882 HG11 HG21 ' A' ' 80' ' ' VAL . 53.4 t -96.81 137.85 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 47.9 m-85 -136.44 156.62 48.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.462 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -122.01 -69.0 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.778 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.3 mmpt? -121.86 46.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.46 16.27 69.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -130.37 113.43 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.967 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 11.4 ttm180 -50.45 108.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 60' ' ' VAL . 16.3 m -87.09 -41.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -140.48 173.97 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.39 126.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.33 121.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 71' ' ' ILE . 23.3 mm -78.21 45.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.803 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.6 t80 -135.8 115.09 11.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -30.18 22.51 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.9 p -100.91 27.28 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -75.72 148.79 38.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -123.9 -6.16 7.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -164.28 142.5 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -142.66 162.17 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.95 144.44 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.882 HG21 HG11 ' A' ' 60' ' ' VAL . 90.0 t -140.02 139.92 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.3 mt-10 -74.37 126.05 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.778 HD21 HG23 ' A' ' 35' ' ' ILE . 40.7 mt -72.81 -31.24 64.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.5 p -56.67 -42.51 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 88' ' ' LEU . 25.3 mtp180 -57.93 -24.19 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 82' ' ' LEU . 10.8 mt -84.57 -24.37 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 4.0 mmm180 -70.63 -57.69 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -49.91 -37.4 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.6 mt -92.64 -15.88 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 63.51 37.34 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.778 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.82 125.59 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.8 26.59 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.22 157.85 22.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -127.22 169.78 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 109' ' ' VAL . 26.8 p -144.55 160.28 41.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.638 HG21 ' CE3' ' A' ' 39' ' ' TRP . 33.0 t -121.19 132.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 28.7 mtp180 -122.62 130.07 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 m -71.76 103.36 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 20.3 mt -74.63 146.68 42.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 p -165.91 158.0 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.78 58.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -71.25 -29.4 65.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.61 171.12 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -78.33 164.98 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.9 p -110.29 -178.19 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -62.59 166.88 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.67 119.22 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 24' ' ' VAL . 95.5 p -55.0 177.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.22 107.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.1 p -48.14 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.555 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -84.98 98.67 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.17 113.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.642 HG13 ' HD2' ' A' ' 113' ' ' PRO . 93.3 t -67.79 138.47 93.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.642 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.79 145.43 56.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.519 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.2 Cg_endo -69.77 -23.98 30.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.97 -40.08 90.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.44 -30.89 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 114' ' ' PRO . 38.2 mt -65.11 -39.59 93.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 111.104 179.86 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -68.97 83.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t 59.32 42.16 18.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.33 -77.7 1.35 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.539 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -175.05 158.89 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -151.92 173.79 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.26 -50.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.4 t -39.58 110.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -43.65 116.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -160.3 129.86 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.1 m -119.31 100.29 7.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.6 p -121.26 103.13 8.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.1 149.7 70.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.704 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.02 31.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.294 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.77 148.78 44.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.16 178.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.68 87.18 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.343 0.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 137.03 34.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.04 121.02 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.55 68.89 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.633 2.222 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 174.89 8.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.386 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -148.74 177.25 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 25' ' ' THR . 0.6 OUTLIER 60.47 32.74 20.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.549 HG21 ' OG ' ' A' ' 107' ' ' SER . 30.1 t -62.72 139.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -159.88 160.26 33.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.601 HG13 ' HB ' ' A' ' 35' ' ' ILE . 73.1 t -116.84 108.55 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -86.27 -75.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.77 139.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.63 142.36 16.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.9 t -38.16 -26.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -122.22 157.01 59.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 111.081 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.56 16.51 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.42 10.85 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -142.69 170.74 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.633 HG23 HD21 ' A' ' 82' ' ' LEU . 4.9 pt -135.84 173.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.18 99.78 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.409 ' O ' ' CE3' ' A' ' 39' ' ' TRP . 7.3 t -80.2 96.66 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.38 140.06 29.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.448 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.6 p90 -150.49 176.57 10.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -115.12 107.88 49.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 130.93 20.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.5 42.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -45.42 137.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 50' ' ' SER . 83.0 mt -111.54 131.3 55.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 30.2 p -37.27 157.63 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.55 0.69 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.75 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 77.8 p -127.2 -12.52 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.719 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 103.04 60.24 0.72 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -156.95 135.83 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.828 0.346 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.646 ' HA ' HD23 ' A' ' 44' ' ' LEU . 43.6 t -82.59 -73.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -116.57 29.23 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.72 -10.47 27.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.77 162.45 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' OD1' HD21 ' A' ' 49' ' ' LEU . 3.7 m120 -90.32 97.11 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.97 117.55 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.1 p -103.14 -13.84 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.93 -169.54 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 97.8 m-85 -121.86 173.84 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.914 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.58 131.87 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 80' ' ' VAL . 9.9 t -97.07 136.08 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 111.116 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 80.3 m-85 -133.16 147.06 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 -74.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.757 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.0 mmpt? -118.61 40.3 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.16 9.32 60.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -123.63 113.48 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 15.7 ttm-85 -51.65 112.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 84' ' ' ARG . 15.9 m -94.63 -39.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.707 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -142.32 162.42 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.72 119.77 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 70' ' ' VAL . 10.5 p -102.48 122.7 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' ' 71' ' ' ILE . 17.6 mm -79.64 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.863 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -132.88 115.98 14.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -27.37 26.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 15.0 p -103.0 24.66 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.23 134.02 36.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.15 6.66 16.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -172.3 136.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -140.37 155.02 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.79 143.42 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 68' ' ' ALA . 91.6 t -140.75 138.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -70.24 131.1 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.633 HD21 HG23 ' A' ' 35' ' ' ILE . 27.5 mt -77.79 -31.29 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -57.68 -37.4 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 88' ' ' LEU . 30.6 mtp85 -61.3 -26.62 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.3 mt -84.01 -26.06 29.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -65.17 -57.75 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -50.17 -38.12 38.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.4 mt -92.25 -12.73 31.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' LEU . 28.9 mt-10 58.34 36.54 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.757 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.6 128.93 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.95 25.82 7.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.23 152.61 10.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.86 167.54 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 109' ' ' VAL . 34.9 p -136.26 160.34 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.545 ' H ' ' HG ' ' A' ' 107' ' ' SER . 11.7 t -121.14 127.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -119.04 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.424 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.22 110.78 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.68 137.85 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.5 p -145.12 176.56 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.57 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -36.42 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.37 -131.33 2.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -132.1 169.3 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -113.79 172.32 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -54.98 170.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.71 123.77 31.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.549 ' OG ' HG21 ' A' ' 24' ' ' VAL . 98.0 p -62.25 -178.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.78 108.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -49.39 104.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.454 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -82.7 98.57 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 108.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.6 t -63.21 137.17 97.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.605 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.77 146.78 61.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.696 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.4 Cg_endo -69.78 -22.98 31.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.307 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.93 -35.34 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.418 HD12 ' HG2' ' A' ' 113' ' ' PRO . 84.7 mt -83.57 -33.59 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 82' ' ' LEU . 25.2 mt -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.0 p -82.03 135.11 48.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 111.152 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.3 Cg_endo -69.74 160.86 48.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.39 46.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 t -159.91 137.56 7.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.616 0.722 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.72 67.29 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -61.58 117.38 27.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.45 27.57 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.7 p -161.1 161.23 31.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -138.97 -159.09 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 108.52 2.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.686 2.258 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 67.5 m -80.69 111.45 17.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.4 p -103.2 -48.34 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -165.81 140.51 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -161.37 171.52 18.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.84 91.18 0.28 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -89.22 167.98 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t 64.51 42.86 4.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.58 -60.05 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.4 t -133.29 133.55 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -143.76 135.35 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 11' ' ' SER . 75.3 t80 -80.27 160.24 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 16.4 m -71.86 99.57 2.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 p -88.51 102.16 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -84.5 155.79 62.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.729 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.96 9.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.76 141.74 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 66.92 172.8 5.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.501 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.5 Cg_endo -69.75 153.65 93.01 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.272 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 137.96 36.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.82 118.64 15.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 148.83 66.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 171.75 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -143.07 -176.61 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 55.81 35.45 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG21 ' OG ' ' A' ' 107' ' ' SER . 58.4 t -66.32 131.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.38 165.43 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.505 HG13 ' HB ' ' A' ' 35' ' ' ILE . 54.9 t -122.81 114.18 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -93.11 -75.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.85 135.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -87.36 143.32 18.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 66.4 t -35.58 -34.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -114.4 157.14 43.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.76 7.16 32.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 81' ' ' GLU . 71.5 p -138.49 171.7 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.671 HG23 HD21 ' A' ' 82' ' ' LEU . 4.0 pt -136.38 164.35 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -111.58 101.51 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 t -83.79 98.97 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -93.63 140.66 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.64 ' CE3' HG21 ' A' ' 95' ' ' VAL . 22.5 p90 -147.55 -177.63 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -118.01 107.02 44.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.16 17.14 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 140.4 42.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -46.59 138.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' A' ' 50' ' ' SER . 87.0 mt -112.7 132.82 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 26.6 p -37.22 157.7 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.611 0.72 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 14.77 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.704 2.27 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 45' ' ' THR . 70.4 p -127.31 -16.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.568 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.45 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -154.88 130.42 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.578 ' HA ' HD23 ' A' ' 44' ' ' LEU . 2.1 t -81.31 -67.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -120.45 28.68 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.94 27.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.45 154.71 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -84.37 103.04 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.9 116.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.8 p -99.69 -15.39 18.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.51 -165.03 36.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 90.2 m-85 -125.38 173.76 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.879 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.44 133.95 5.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.624 HG11 HG21 ' A' ' 80' ' ' VAL . 48.6 t -99.6 134.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 19.7 m-85 -131.76 143.64 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -108.77 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.747 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.4 mmpt? -119.53 38.86 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.71 7.67 64.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -122.39 114.04 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -47.96 108.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.566 HG12 ' HB3' ' A' ' 84' ' ' ARG . 3.1 m -92.49 -34.42 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -146.9 164.06 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -161.02 123.49 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 p -108.84 122.15 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 71' ' ' ILE . 22.9 mm -77.56 46.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.879 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -136.06 114.97 10.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -24.88 28.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.529 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.1 p -105.27 23.18 14.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.71 129.64 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -113.3 13.31 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 p -173.14 130.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.73 149.84 45.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.7 143.7 29.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.624 HG21 HG11 ' A' ' 60' ' ' VAL . 89.9 t -138.56 138.74 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.7 mt-10 -74.03 124.95 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.671 HD21 HG23 ' A' ' 35' ' ' ILE . 34.6 mt -71.35 -31.77 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.5 p -55.31 -40.77 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.566 ' HB3' HG12 ' A' ' 67' ' ' VAL . 35.2 mtp85 -58.46 -29.92 66.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 89' ' ' GLU . 11.1 mt -79.22 -26.33 42.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -67.25 -58.18 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.0 -41.04 59.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.8 mt -89.51 -15.61 32.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' LEU . 14.1 mt-10 62.61 37.38 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.747 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.78 125.4 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -98.43 26.24 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.01 156.53 18.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 m -128.05 171.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 109' ' ' VAL . 26.7 p -144.34 170.91 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.64 HG21 ' CE3' ' A' ' 39' ' ' TRP . 12.8 t -132.44 132.0 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.583 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 15.2 mtp180 -123.91 133.42 53.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.24 102.54 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 26.7 mt -76.0 138.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -151.27 169.21 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.16 -32.74 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -72.99 -44.98 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.52 -173.62 41.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -91.33 162.67 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.7 t -112.69 165.04 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m -46.78 163.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.64 124.16 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.568 ' OG ' HG21 ' A' ' 24' ' ' VAL . 72.8 p -59.25 178.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.69 111.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.9 p -53.76 104.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.49 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.51 98.23 9.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.44 112.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 113' ' ' PRO . 97.5 t -65.46 138.84 97.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.68 145.94 59.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.2 Cg_endo -69.76 -20.94 34.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -71.94 -37.3 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 71.7 mt -79.46 -33.74 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 114' ' ' PRO . 38.4 mt -64.0 -34.02 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 119' ' ' PRO . 7.6 p -84.18 137.54 39.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.9 Cg_endo -69.76 144.55 54.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 152.82 69.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 m -152.04 132.65 7.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 115.04 3.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -59.0 138.44 87.65 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.62 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.2 p -62.23 149.64 41.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -130.3 -96.21 0.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.55 11.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.6 p -60.94 -56.7 17.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.2 p -76.18 137.71 40.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -148.34 157.81 43.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 m -90.78 149.14 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.35 -54.15 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -77.82 143.88 37.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -82.23 133.89 35.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.89 -87.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.0 143.74 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -94.79 171.64 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -133.39 134.31 43.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.3 m -73.67 96.54 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 12' ' ' THR . 14.0 t -100.65 41.19 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mt -43.76 140.34 2.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.69 28.64 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.734 2.29 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.06 124.66 7.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.11 177.23 43.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.82 91.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.39 44.9 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.89 118.21 22.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 149.99 67.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.75 170.96 15.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -142.12 175.93 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' HD3' ' A' ' 40' ' ' ARG . 4.5 m-20 61.74 35.05 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.705 HG21 ' OG ' ' A' ' 107' ' ' SER . 83.8 t -68.3 128.68 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.77 170.24 18.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.555 HG21 HG22 ' A' ' 112' ' ' VAL . 75.3 t -123.63 111.96 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -90.9 -76.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.26 134.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.3 142.11 18.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLY . 86.7 t -37.5 -28.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 111.169 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.7 p -122.13 157.43 58.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.27 7.62 31.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 81' ' ' GLU . 44.6 p -141.75 169.43 17.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.818 HG23 HD21 ' A' ' 82' ' ' LEU . 3.5 pt -132.25 173.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -122.8 98.97 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.0 t -80.93 104.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -97.22 142.44 29.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.636 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.9 p90 -150.51 -177.68 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HD3' ' CB ' ' A' ' 23' ' ' ASP . 6.1 mpt_? -116.84 107.02 46.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 126.67 13.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.47 67.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.47 139.87 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.9 mt -112.65 131.73 55.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 36.5 p -37.64 157.87 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.79 15.71 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.46 ' H ' ' C ' ' A' ' 45' ' ' THR . 60.8 p -127.05 -17.11 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.758 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.22 56.58 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 48' ' ' GLY . 13.5 mt -155.99 136.75 13.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -86.65 -73.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -111.16 17.76 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.44 -19.47 8.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.87 163.69 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -90.9 96.48 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.86 114.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -110.49 4.44 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' LEU . . . 154.14 179.13 29.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -114.48 174.13 6.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.94 126.66 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 80' ' ' VAL . 39.5 t -92.38 137.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 40.3 m-85 -133.74 147.8 51.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -114.88 -67.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.3 mmpt? -124.85 44.79 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.83 12.87 70.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -129.12 112.99 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -48.56 111.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 84' ' ' ARG . 8.2 m -92.35 -32.85 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.83 165.73 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -160.66 126.32 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -109.13 121.5 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.566 ' O ' HG22 ' A' ' 71' ' ' ILE . 30.1 mm -77.7 45.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.817 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -136.25 114.57 10.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -26.67 27.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.371 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 p -104.62 27.84 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.817 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.29 145.67 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -119.74 -7.93 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -159.72 141.57 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -141.79 150.98 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 145.95 25.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.586 HG22 ' CB ' ' A' ' 68' ' ' ALA . 98.6 t -140.0 143.03 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -78.94 123.68 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.818 HD21 HG23 ' A' ' 35' ' ' ILE . 54.8 mt -68.03 -33.77 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.62 -37.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.1 mtp85 -61.54 -28.15 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.1 mt -82.0 -26.27 34.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -67.41 -56.94 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -50.18 -40.93 48.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.2 mt -91.05 -15.98 28.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' LEU . 53.7 mt-10 63.91 37.97 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -79.36 129.83 34.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -101.71 20.37 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.03 155.94 24.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.2 171.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.9 p -143.98 178.28 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.636 HG21 ' CE3' ' A' ' 39' ' ' TRP . 40.7 t -136.67 130.03 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.538 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 23.3 mtp180 -121.03 125.96 48.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 m -68.58 105.91 2.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.414 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 22.7 mt -78.83 150.41 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.2 p -158.5 179.53 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.49 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.3 mp0 -85.0 -43.24 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.59 -160.47 33.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.91 170.92 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 t -118.53 168.64 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -50.72 162.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.77 121.98 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.705 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.5 p -57.12 179.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.12 112.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -54.34 104.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.08 98.19 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.74 112.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.1 t -66.19 138.38 96.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.1 Cg_endo -69.78 145.26 56.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.681 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.78 -22.03 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.28 -30.77 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.44 -28.55 22.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 114' ' ' PRO . 25.2 mt -69.53 -39.06 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 114' ' ' PRO . 3.8 p -80.36 135.62 53.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.725 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.74 147.72 63.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.03 69.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.1 t -142.85 140.43 18.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.554 0.692 . . . . 0.0 111.161 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.69 26.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -38.68 141.31 0.59 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.563 0.697 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -48.76 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' GLY . 87.8 p -110.13 97.1 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' SER . . . 36.75 -156.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 125.66 12.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -117.23 158.56 24.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.0 p -90.0 119.33 30.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.55 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -148.64 168.49 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -169.84 173.93 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.99 -160.44 8.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -139.78 120.74 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -155.05 112.58 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.64 -160.14 8.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.7 m -142.47 147.24 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -38.69 148.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -96.53 95.94 8.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m -43.81 142.55 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.426 ' C ' ' HG ' ' A' ' 13' ' ' LEU . 23.9 p -88.96 101.14 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HG ' ' C ' ' A' ' 12' ' ' THR . 7.2 mt -149.55 139.75 13.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 132.58 23.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.234 . . . . 0.0 112.359 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.425 ' HB3' ' HG2' ' A' ' 101' ' ' GLN . . . -154.45 138.75 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 53' ' ' ALA . . . 72.32 -178.37 38.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.67 85.02 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.33 0.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.63 33.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.89 118.56 8.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.91 69.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.13 15.04 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.69 -176.4 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 54.11 34.01 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG21 ' OG ' ' A' ' 107' ' ' SER . 55.1 t -67.34 127.47 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.41 168.54 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG13 ' HB ' ' A' ' 35' ' ' ILE . 77.4 t -123.42 113.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -93.55 -75.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.69 134.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -86.65 144.36 19.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -38.86 -33.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -115.16 156.85 44.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.99 2.44 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.41 HG22 ' HA ' ' A' ' 81' ' ' GLU . 64.9 p -137.97 169.5 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.79 HG23 HD21 ' A' ' 82' ' ' LEU . 10.3 pt -131.66 179.18 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -125.27 103.01 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 t -85.46 100.17 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -94.49 138.69 32.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.653 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.3 p90 -146.45 -175.14 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -118.13 105.6 46.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 125.79 12.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.09 44.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -45.73 147.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 50' ' ' SER . 92.0 mt -123.34 131.09 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 28.1 p -37.25 158.12 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 16.11 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 45' ' ' THR . 72.4 p -127.14 -18.65 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.57 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 110.37 58.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 48' ' ' GLY . 10.4 mt -153.34 142.69 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.559 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.7 t -94.67 -63.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -122.96 29.44 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.83 -12.87 38.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' GLY . . . -105.52 158.78 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.86 109.03 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -89.14 119.91 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -102.86 -17.24 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.83 -161.0 31.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.5 m-85 -126.66 173.13 9.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.85 129.27 3.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.832 ' HB ' ' HB3' ' A' ' 68' ' ' ALA . 87.7 t -94.08 137.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 64.5 m-85 -134.39 155.25 50.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -121.29 -67.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.9 mmpt? -124.42 44.6 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.55 15.22 66.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -130.62 113.52 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 8.6 ttm180 -48.65 111.03 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.8 m -96.61 -34.86 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.832 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . . . -141.11 166.99 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -166.51 122.66 1.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.74 122.68 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 71' ' ' ILE . 21.5 mm -77.44 46.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.867 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 4.6 t80 -138.12 114.68 9.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.59 29.7 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.394 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.2 p -105.55 24.44 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.867 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -82.59 130.16 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -113.64 15.81 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.9 p -171.49 130.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.7 160.55 38.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.61 23.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.613 HG21 HG11 ' A' ' 60' ' ' VAL . 98.9 t -138.69 137.68 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 34' ' ' THR . 9.2 mt-10 -76.09 119.52 20.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.79 HD21 HG23 ' A' ' 35' ' ' ILE . 33.3 mt -68.06 -30.09 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 84' ' ' ARG . 9.4 p -60.18 -42.0 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' N ' HG13 ' A' ' 83' ' ' VAL . 45.8 mtp85 -57.87 -28.79 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' GLU . 9.7 mt -78.18 -26.87 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -68.28 -56.71 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.22 -41.59 60.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.5 mt -90.44 -15.31 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 85' ' ' LEU . 32.4 mt-10 61.7 37.89 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.91 128.68 34.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -99.38 25.45 6.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 160.89 26.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.13 170.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.107 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p -141.18 171.83 13.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.653 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.4 t -135.43 125.9 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -115.79 138.94 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 m -79.94 90.04 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 103' ' ' GLU . 47.1 mt -61.31 139.07 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.4 p -142.98 171.43 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.04 -25.71 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.425 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 19.9 mp0 -92.69 -42.78 9.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.19 135.35 1.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.951 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -51.95 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 p -120.03 -178.13 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.46 176.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 119.37 31.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.426 ' OG ' HG21 ' A' ' 24' ' ' VAL . 25.4 p -54.5 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.86 108.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.3 p -49.14 104.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.84 98.34 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.32 113.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 113' ' ' PRO . 98.3 t -66.6 138.92 95.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.71 145.17 56.63 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.606 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.73 -23.7 30.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -36.44 77.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.418 HD12 ' CG ' ' A' ' 113' ' ' PRO . 78.2 mt -79.65 -33.03 41.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 114' ' ' PRO . 21.0 mt -69.04 -37.45 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 114' ' ' PRO . 9.1 p -82.42 136.43 45.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.84 158.83 55.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.14 62.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.9 t -124.0 140.81 35.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.525 0.678 . . . . 0.0 111.198 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.15 19.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -114.79 90.27 21.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.72 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -47.16 -55.66 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 134.43 -167.12 23.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.55 2.59 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.4 m -56.55 -43.32 79.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.2 p -89.37 106.51 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -129.82 173.39 10.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.821 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -122.59 144.06 49.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.51 173.02 27.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -114.26 146.99 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -127.39 178.59 5.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.05 -168.06 12.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -162.3 136.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -71.32 135.08 47.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -132.42 178.32 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 m -131.36 165.88 22.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.6 p -114.38 40.8 2.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.67 150.4 57.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 135.42 30.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.402 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.18 131.19 23.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 79.67 174.21 46.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.3 Cg_endo -69.78 149.41 88.58 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.307 0.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.8 19.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.96 118.41 2.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 149.72 67.32 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 171.73 13.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -142.83 -177.3 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.68 30.96 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.736 HG21 ' OG ' ' A' ' 107' ' ' SER . 61.6 t -64.01 127.03 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 164.98 33.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG13 ' HB ' ' A' ' 35' ' ' ILE . 89.8 t -120.74 111.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -90.08 -75.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.42 135.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -85.29 143.06 20.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -38.89 -30.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.6 p -119.52 158.05 50.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.54 12.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.38 1.43 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 81' ' ' GLU . 44.3 p -135.78 170.78 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.701 HG23 HD21 ' A' ' 82' ' ' LEU . 4.6 pt -132.92 177.77 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.2 100.06 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 t -83.42 98.18 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -91.7 144.74 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CE3' HG21 ' A' ' 95' ' ' VAL . 18.2 p90 -152.13 -176.6 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 2.9 mmm180 -118.66 107.26 42.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 125.53 12.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 144.99 55.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.4 m -46.12 146.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.8 mt -121.46 132.46 54.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 29.7 p -37.51 157.93 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.79 12.02 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.9 p -126.99 -11.34 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.737 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 102.08 60.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 48' ' ' GLY . 18.2 mt -156.61 128.44 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 28.0 t -78.05 -75.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -113.54 30.35 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.7 27.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.21 169.61 9.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -97.94 95.1 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 97' ' ' THR . 46.9 t -69.38 113.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -109.98 6.64 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.88 -178.05 29.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.5 m-85 -119.16 173.4 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.913 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.12 137.74 7.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.483 HG11 HG21 ' A' ' 80' ' ' VAL . 17.4 t -102.91 140.81 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -134.91 151.77 51.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.81 -75.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.738 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.3 mmpt? -119.51 45.6 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.22 9.82 66.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -128.26 114.51 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -49.15 119.3 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.784 HG12 HH11 ' A' ' 84' ' ' ARG . 4.1 m -98.81 -30.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.705 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.98 170.92 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.04 127.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.2 p -113.93 122.3 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 71' ' ' ILE . 17.6 mm -79.01 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.869 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.5 t80 -133.44 114.42 13.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.84 29.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 20.0 p -104.75 22.58 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.869 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.22 133.83 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -114.65 11.49 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.1 p -173.43 134.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -138.92 152.79 48.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.51 145.39 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.705 HG22 ' CB ' ' A' ' 68' ' ' ALA . 95.6 t -141.77 141.95 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.614 ' HA ' HG22 ' A' ' 34' ' ' THR . 8.8 mt-10 -75.58 126.27 30.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.701 HD21 HG23 ' A' ' 35' ' ' ILE . 43.9 mt -72.52 -31.64 65.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.5 p -56.9 -41.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.784 HH11 HG12 ' A' ' 67' ' ' VAL . 8.5 mtp-105 -59.83 -21.65 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.86 -29.54 22.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -66.15 -59.06 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -45.98 -40.24 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.6 mt -88.93 -17.77 28.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 66.1 36.02 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.738 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.0 130.57 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.554 ' NZ ' HD13 ' A' ' 117' ' ' LEU . 5.1 mmpt? -102.1 21.16 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.57 156.13 22.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.17 172.07 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.1 p -138.78 176.4 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.496 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.94 127.16 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -118.04 135.52 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.414 HG22 HG13 ' A' ' 55' ' ' VAL . 2.8 m -75.35 104.07 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 23.5 mt -74.31 145.2 44.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.2 p -153.45 172.85 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -31.02 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -83.71 -44.16 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.87 151.84 7.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.17 -179.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.1 p -120.36 177.72 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -55.8 168.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 125.72 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.736 ' OG ' HG21 ' A' ' 24' ' ' VAL . 91.0 p -59.9 178.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.41 115.66 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -53.57 105.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.74 99.2 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.6 112.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 113' ' ' PRO . 89.8 t -65.32 138.63 97.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.623 0.725 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.74 145.94 58.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.669 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.79 -25.68 28.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.394 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -64.67 -37.61 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.527 HD12 ' HG2' ' A' ' 113' ' ' PRO . 77.0 mt -81.22 -33.2 33.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 114' ' ' PRO . 19.9 mt -63.47 -37.61 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 ' HD2' ' A' ' 119' ' ' PRO . 14.7 p -82.95 134.86 45.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.577 0.703 . . . . 0.0 111.151 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.73 145.3 56.87 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 134.52 28.29 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.64 HG23 ' HD2' ' A' ' 122' ' ' PRO . 96.3 m -46.02 138.68 5.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.505 0.669 . . . . 0.0 111.213 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 121' ' ' THR . 53.7 Cg_endo -69.75 160.8 48.34 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -117.63 143.01 31.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 163.41 38.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.3 m -120.87 156.78 31.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -86.46 142.52 18.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 -17.88 37.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.378 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.5 t -70.98 -64.53 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -85.95 142.0 29.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -167.99 157.39 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -133.79 175.19 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.5 -164.77 15.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.8 p -158.68 -179.83 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.358 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -69.76 178.13 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.75 -161.51 15.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.544 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.2 t -115.65 151.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 111.172 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 160.38 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.75 155.38 16.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -94.07 160.53 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -102.63 90.81 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.5 mt -99.03 149.15 35.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.588 0.708 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.75 15.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -157.6 153.0 26.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.73 -178.49 35.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 156.83 92.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.34 0.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.84 43.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 120.99 39.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 148.37 65.3 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.2 17.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.51 174.94 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.36 35.32 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' OG ' ' A' ' 107' ' ' SER . 13.8 t -68.1 127.59 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.91 160.96 42.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG13 ' HB ' ' A' ' 35' ' ' ILE . 61.1 t -116.62 110.3 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -87.43 -75.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.37 135.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.19 145.25 19.03 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -43.45 -25.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 p -124.99 157.75 65.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.4 28.48 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.65 2.96 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 81' ' ' GLU . 67.1 p -141.26 163.25 33.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.771 HG23 HD21 ' A' ' 82' ' ' LEU . 9.0 pt -127.69 -176.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -130.12 99.16 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 t -83.99 105.19 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -97.7 141.88 30.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.429 ' CE3' HG21 ' A' ' 95' ' ' VAL . 23.4 p90 -147.72 -175.04 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -122.16 108.38 34.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.58 45.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -42.63 136.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 84.7 mt -110.39 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 40.5 p -36.93 156.91 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 13.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 45' ' ' THR . 37.9 p -129.14 -7.36 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.63 61.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.2 mt -154.55 129.82 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 7.6 t -102.16 102.62 13.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 69.61 25.04 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.544 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 96.34 -11.44 67.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.93 162.47 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -100.51 85.88 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.494 HG13 HG22 ' A' ' 97' ' ' THR . 38.7 t -66.88 120.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -114.91 6.5 15.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.93 -177.88 31.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.435 ' O ' HD11 ' A' ' 98' ' ' LEU . 96.8 m-85 -119.82 172.78 7.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.01 135.19 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 80' ' ' VAL . 18.8 t -97.83 139.66 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 96' ' ' ARG . 83.4 m-85 -133.44 148.62 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -113.37 -73.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.7 mmpt? -121.49 43.19 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.95 8.82 63.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -128.18 114.98 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.445 HH21 HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -46.42 121.6 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.612 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.9 m -103.06 -24.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -155.62 165.89 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -161.8 123.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.58 122.3 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.56 ' O ' HG22 ' A' ' 71' ' ' ILE . 28.8 mm -77.9 45.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.809 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -136.94 114.14 9.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 54.3 Cg_endo -69.67 -25.84 28.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.3 p -103.41 24.77 10.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.809 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -77.71 140.67 39.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -116.77 -2.18 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.1 m -164.82 141.73 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -145.3 143.61 30.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.12 141.85 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 60' ' ' VAL . 95.3 t -135.55 141.47 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.0 mt-10 -77.29 126.79 31.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.771 HD21 HG23 ' A' ' 35' ' ' ILE . 88.5 mt -72.68 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.68 -37.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.612 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.7 mtp85 -63.11 -19.92 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.5 mt -89.58 -26.36 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -67.36 -59.86 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -46.33 -42.48 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.4 mt -91.74 -10.26 40.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 11.9 mt-10 58.6 35.77 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.643 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -75.68 127.8 33.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.1 12.85 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.43 153.41 23.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.88 174.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 109' ' ' VAL . 49.2 p -142.73 175.74 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.1 t -137.23 127.67 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.585 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 16.8 mtp180 -118.67 135.34 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.494 HG22 HG13 ' A' ' 55' ' ' VAL . 3.0 m -74.95 99.85 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.445 HD13 HH21 ' A' ' 66' ' ' ARG . 19.8 mt -69.78 141.31 53.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 p -149.34 179.81 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.534 ' HB3' HE22 ' A' ' 101' ' ' GLN . . . -79.68 -12.09 59.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.534 HE22 ' HB3' ' A' ' 100' ' ' ALA . 4.9 mp0 -97.18 -34.32 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.21 19.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.72 154.12 28.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -99.94 175.43 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.83 162.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.88 125.77 30.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.2 p -59.36 -179.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.06 110.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.3 p -50.64 104.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.06 98.35 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.49 111.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 113' ' ' PRO . 94.6 t -63.01 138.48 97.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.5 Cg_endo -69.81 142.76 48.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.75 -15.62 37.22 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -74.25 -37.5 63.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.405 HD12 ' HG2' ' A' ' 113' ' ' PRO . 73.5 mt -81.06 -29.84 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 114' ' ' PRO . 25.1 mt -69.01 -38.0 78.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.526 HG23 ' HD2' ' A' ' 119' ' ' PRO . 11.6 p -81.77 136.67 47.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.526 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.79 165.77 29.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 128.69 16.43 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.4 t -79.32 140.71 56.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.55 0.69 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 170.75 15.82 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -49.6 136.36 18.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -25.69 28.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.5 m -59.55 126.59 28.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.78 155.24 9.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 129.25 17.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.8 m -79.0 -58.27 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.9 p -108.4 151.54 25.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -107.19 104.06 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -144.82 126.87 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.74 -44.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 m -40.69 144.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -95.51 -51.44 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.93 -86.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.56 177.37 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -103.93 153.16 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -127.82 154.57 45.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.8 p -53.57 126.85 23.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.66 79.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.56 152.52 34.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 120.49 7.27 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HB3' ' HG2' ' A' ' 101' ' ' GLN . . . -167.15 151.77 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 53' ' ' ALA . . . 72.5 -177.16 40.89 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.94 93.32 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.375 -0.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.74 43.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.83 121.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.04 66.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.9 11.82 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -143.33 -178.39 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.78 28.92 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.614 HG21 ' OG ' ' A' ' 107' ' ' SER . 48.1 t -61.1 129.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -150.06 170.09 19.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.437 HG21 HG22 ' A' ' 112' ' ' VAL . 96.2 t -128.22 109.87 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -87.55 -76.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.53 143.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.443 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.93 142.16 15.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -38.24 -34.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -118.98 157.37 50.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.557 0.694 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.58 0.7 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 81' ' ' GLU . 47.1 p -141.41 168.36 19.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.155 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.664 HG23 HD21 ' A' ' 82' ' ' LEU . 6.5 pt -133.5 177.41 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -122.07 95.2 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.6 t -80.64 101.66 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.65 160.21 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.449 ' CE3' HG21 ' A' ' 95' ' ' VAL . 8.8 p90 -167.7 -178.61 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -120.55 110.12 35.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.78 15.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.89 38.81 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -41.75 141.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.0 mt -117.3 134.35 54.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 33.6 p -37.25 157.41 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.4 Cg_endo -69.67 12.12 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.42 ' H ' ' C ' ' A' ' 45' ' ' THR . 26.4 p -127.07 -13.59 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 98.67 63.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 48' ' ' GLY . 52.9 mt -157.36 127.01 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.47 ' HB2' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -100.79 100.21 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 71.94 25.11 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.579 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 94.72 -8.37 71.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . . . -96.81 155.0 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -94.14 86.57 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.586 HG13 HG22 ' A' ' 97' ' ' THR . 41.2 t -68.46 115.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.3 p -106.3 2.38 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 72' ' ' PHE . . . 155.64 -170.16 33.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.8 m-85 -120.58 173.24 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.999 0.428 . . . . 0.0 110.902 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.59 130.07 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.85 142.08 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 96' ' ' ARG . 51.6 m-85 -133.38 144.03 49.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -133.53 104.78 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.752 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.5 mmpt? 69.6 28.02 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.21 21.46 49.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -136.48 118.76 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -58.6 128.46 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.728 HG12 ' HB3' ' A' ' 84' ' ' ARG . 6.1 m -112.84 -28.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.615 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -146.52 168.85 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.68 123.3 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -110.79 121.76 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 71' ' ' ILE . 32.7 mm -77.89 45.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.79 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -135.63 112.02 10.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 53.3 Cg_endo -69.79 -22.86 31.35 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.512 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 51.8 p -105.43 23.41 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.79 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -75.14 145.66 41.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.15 -0.02 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 p -172.75 142.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -141.0 163.82 31.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.8 145.83 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.615 HG22 ' CB ' ' A' ' 68' ' ' ALA . 97.6 t -140.29 143.03 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 34' ' ' THR . 7.4 mt-10 -79.51 123.72 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 35' ' ' ILE . 92.6 mt -68.1 -33.27 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 2.6 p -53.44 -39.58 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HB3' HG12 ' A' ' 67' ' ' VAL . 34.6 mtt85 -61.71 -21.67 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.2 mt -87.35 -24.61 24.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -70.19 -50.92 35.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -54.01 -39.79 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 62' ' ' ALA . 4.7 mt -95.83 -11.92 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.0 mt-10 60.8 32.81 20.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.752 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -72.47 120.9 18.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -92.18 21.74 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.38 156.51 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.15 162.96 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.8 p -133.46 164.56 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.499 ' H ' ' HG ' ' A' ' 107' ' ' SER . 11.2 t -123.76 127.26 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 55.5 mtt180 -117.43 130.69 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.586 HG22 HG13 ' A' ' 55' ' ' VAL . 2.5 m -72.22 105.96 4.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 25.1 mt -76.19 139.5 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 p -150.27 178.11 9.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.27 -19.84 60.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.593 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 26.9 mp0 -87.26 -39.99 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.0 166.16 16.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -71.33 157.26 38.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.6 p -105.33 177.29 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.8 m -54.17 162.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.52 118.94 23.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.614 ' OG ' HG21 ' A' ' 24' ' ' VAL . 97.2 p -54.67 176.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.97 105.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' A' ' 94' ' ' THR . 6.7 p -48.92 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.47 99.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.14 111.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 113' ' ' PRO . 90.5 t -65.4 138.84 97.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.71 144.85 55.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.719 ' O ' HG12 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.76 -19.96 35.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.53 -31.46 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.93 -34.87 17.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 114' ' ' PRO . 21.6 mt -61.85 -37.24 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.2 p -85.66 124.96 70.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 161.24 46.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.53 23.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.631 2.22 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.0 t -151.69 140.52 13.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.608 0.718 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.57 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -146.34 147.33 30.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.75 61.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.619 2.212 . . . . 0.0 112.385 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.8 m -137.07 172.98 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 127' ' ' PRO . . . 140.36 95.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.411 ' HD2' ' HA2' ' A' ' 126' ' ' GLY . 53.7 Cg_endo -69.79 178.21 4.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 37.4 p -107.79 150.47 26.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 83.0 p -175.02 126.54 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -153.82 163.27 40.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 m -161.54 165.4 28.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.78 175.89 22.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -165.95 177.6 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.2 p -148.85 166.65 27.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.44 -172.97 34.36 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.99 131.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -123.79 156.08 36.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -63.1 155.15 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -70.55 86.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 12' ' ' THR . 8.8 t -125.16 112.44 16.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 mt -95.77 137.6 21.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.721 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.64 35.93 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.11 150.87 26.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 68.98 172.07 7.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.501 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.76 156.82 92.61 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.359 0.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 137.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 117.79 11.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 149.46 66.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.48 14.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -143.51 -178.52 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 55.98 37.52 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.653 HG21 ' OG ' ' A' ' 107' ' ' SER . 93.9 t -69.15 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.28 167.46 26.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 35' ' ' ILE . 75.5 t -124.83 114.46 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -94.27 -75.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.49 136.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.34 141.02 16.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 55.8 t -35.24 -31.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.6 p -115.2 157.04 44.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.53 21.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.68 7.02 30.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 81' ' ' GLU . 69.1 p -137.63 172.12 13.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.686 HG23 HD21 ' A' ' 82' ' ' LEU . 5.7 pt -136.81 171.19 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -118.05 100.93 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.86 99.41 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -94.46 142.51 27.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.717 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.8 p90 -149.78 -176.59 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -116.55 106.06 49.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 127.1 14.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 141.49 45.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -45.68 141.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 89.5 mt -116.53 132.28 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 30.7 p -37.47 157.84 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.586 0.708 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 13.44 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 45' ' ' THR . 80.7 p -128.05 -14.17 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.661 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 105.69 58.6 0.64 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.4 mt -155.72 130.8 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 18.7 t -83.54 -71.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -114.12 32.12 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.67 -16.2 48.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 101' ' ' GLN . . . -99.83 156.63 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.6 m120 -83.5 105.03 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -83.03 114.63 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -101.64 -13.68 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.86 -167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.475 ' CE1' HG23 ' A' ' 97' ' ' THR . 97.3 m-85 -123.74 174.46 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.33 135.76 6.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.666 HG11 HG21 ' A' ' 80' ' ' VAL . 63.4 t -100.14 135.95 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 33.4 m-85 -132.42 156.48 46.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -124.3 -69.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.743 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.8 mmpt? -123.02 44.58 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.07 63.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -132.68 113.72 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -50.35 107.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG2' HG12 ' A' ' 60' ' ' VAL . 4.0 m -85.98 -30.74 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.551 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -151.32 168.63 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -163.87 124.75 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.75 122.33 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 71' ' ' ILE . 23.0 mm -77.83 45.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.923 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.1 t80 -134.52 116.84 13.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -29.77 23.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.715 2.277 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.5 p -103.61 28.65 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.923 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -83.16 132.52 35.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -115.51 13.57 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.6 p -172.97 130.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 t -139.34 143.52 37.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.39 145.05 35.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.666 HG21 HG11 ' A' ' 60' ' ' VAL . 92.4 t -140.27 140.51 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -75.08 127.09 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.686 HD21 HG23 ' A' ' 35' ' ' ILE . 46.0 mt -72.79 -32.58 65.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.6 p -54.99 -41.15 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.505 ' HB3' HG12 ' A' ' 67' ' ' VAL . 40.4 mtp85 -58.03 -28.42 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.95 -22.73 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 3.5 mmm180 -72.74 -56.83 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.87 -39.86 27.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.0 mt -92.27 -18.08 23.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 66.07 37.56 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.743 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.53 128.41 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -99.12 22.7 10.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.75 157.92 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.1 m -130.67 175.16 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 109' ' ' VAL . 44.2 p -145.81 174.09 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.717 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.73 126.75 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.536 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 24.5 mtp180 -117.9 133.23 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 58' ' ' TYR . 2.7 m -74.23 103.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 21.5 mt -76.45 140.61 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 12.5 p -154.5 167.15 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.0 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.439 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 78.9 mm-40 -74.57 -47.66 31.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.64 159.11 12.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -72.48 164.0 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.4 p -114.54 171.08 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.42 172.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.6 124.75 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 24' ' ' VAL . 80.8 p -55.8 178.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.88 113.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -52.58 104.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -85.72 98.96 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.94 111.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 113' ' ' PRO . 88.4 t -66.35 136.9 95.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.79 145.61 57.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.25 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.787 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.74 -25.25 28.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -63.72 -37.34 86.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.582 HD12 ' HG2' ' A' ' 113' ' ' PRO . 58.9 mt -81.0 -34.79 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 114' ' ' PRO . 29.2 mt -64.37 -40.47 95.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.6 p -82.32 133.33 50.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.71 144.06 53.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.55 24.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.2 t -102.74 140.88 21.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 107.83 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.423 ' ND1' ' HD2' ' A' ' 124' ' ' PRO . 83.7 t60 -86.03 133.84 40.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 123' ' ' HIS . 54.1 Cg_endo -69.75 163.06 39.67 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.7 p -150.76 155.56 39.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.93 -167.48 16.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 110.37 2.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.0 t -159.59 142.61 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.4 p -153.27 160.8 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.541 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -152.22 160.49 43.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -55.41 169.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.75 -94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -153.02 119.92 5.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -111.73 168.44 9.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.86 -165.95 28.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' GLU . 92.4 t -130.43 111.91 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' VAL . 19.3 mt-10 -37.28 155.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -83.15 99.48 9.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 t -126.88 138.52 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.9 p -88.63 85.89 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.8 mt -112.79 147.34 36.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 126.21 13.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HG2' ' A' ' 101' ' ' GLN . . . -159.37 138.38 11.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.31 177.33 9.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.53 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.59 87.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.34 0.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.58 25.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.06 119.69 7.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.703 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 153.08 69.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 169.98 17.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.85 179.35 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.05 39.41 29.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.734 HG12 ' HB2' ' A' ' 110' ' ' ALA . 82.0 t -71.57 133.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.24 169.43 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.493 HG21 HG22 ' A' ' 112' ' ' VAL . 38.6 t -128.12 112.42 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.692 ' O ' HD11 ' A' ' 116' ' ' LEU . 34.3 mm-40 -90.96 -76.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -176.23 137.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -87.74 140.56 16.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.4 t -33.41 -34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.9 p -115.41 157.99 42.61 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' C ' HD12 ' A' ' 82' ' ' LEU . . . -108.09 -0.87 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.1 p -134.16 162.34 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.57 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.3 pt -127.49 167.65 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 10.5 ttt-85 -113.76 103.02 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 t -87.28 102.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.3 162.17 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CE3' HG21 ' A' ' 95' ' ' VAL . 6.6 p90 -172.79 177.3 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -116.59 111.2 41.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 127.21 14.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 142.51 48.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.1 t -47.85 143.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 88.1 mt -119.43 132.23 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 27.4 p -37.56 158.02 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.572 0.701 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.75 13.97 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 45' ' ' THR . 47.2 p -126.02 -15.42 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.752 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 106.09 56.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 48' ' ' GLY . 15.5 mt -156.19 132.87 10.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 5.3 t -83.43 -64.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -124.99 34.83 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.86 -17.15 42.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.61 165.93 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -97.4 93.43 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.73 112.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.1 p -106.52 7.5 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.66 179.52 23.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.429 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -112.87 172.0 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 110.881 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.13 126.86 2.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 67' ' ' VAL . 48.7 t -91.86 139.05 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 27.0 m-85 -128.43 153.65 46.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -147.08 105.9 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.733 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 5.7 mmpt? 68.03 34.56 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 27.49 56.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.634 ' OE1' HD21 ' A' ' 88' ' ' LEU . 11.6 mt-30 -143.94 120.21 10.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 17.7 ttp-105 -60.24 127.61 32.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 84' ' ' ARG . 12.5 m -104.85 -33.67 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.628 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -145.27 177.36 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -169.96 120.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.8 p -109.19 120.17 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.7 mm -77.29 45.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.748 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -135.44 114.09 11.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 53.9 Cg_endo -69.75 -27.45 26.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.431 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.7 p -101.7 24.66 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.748 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -72.95 148.37 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -123.16 -7.52 8.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -165.57 139.76 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -140.79 149.76 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.99 146.77 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.628 HG22 ' CB ' ' A' ' 68' ' ' ALA . 91.5 t -141.72 142.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.652 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -76.5 122.55 24.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.7 HD23 HD12 ' A' ' 85' ' ' LEU . 9.2 mt -68.15 -32.67 73.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 81' ' ' GLU . 5.9 p -52.09 -39.78 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HB3' HG12 ' A' ' 67' ' ' VAL . 42.5 mtp85 -61.97 -25.21 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.7 HD12 HD23 ' A' ' 82' ' ' LEU . 3.5 mt -83.59 -24.56 31.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -70.77 -55.47 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -50.54 -38.21 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.634 HD21 ' OE1' ' A' ' 65' ' ' GLN . 3.1 mt -95.3 -13.31 24.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.6 mt-10 60.45 38.02 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.733 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.19 122.08 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -91.37 25.23 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.55 160.18 24.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -130.03 167.89 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 109' ' ' VAL . 25.9 p -138.54 171.71 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.551 HG21 ' CE3' ' A' ' 39' ' ' TRP . 19.1 t -134.19 127.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.407 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 18.3 mtp180 -117.4 132.9 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.0 m -72.78 102.69 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.3 mt -73.28 142.76 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.0 p -149.46 -179.76 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.68 43.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.555 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 3.0 mp0 -88.06 -42.51 12.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.88 147.93 5.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.1 177.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.1 p -115.71 -179.16 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.89 174.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.89 120.84 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.606 ' OG ' HG21 ' A' ' 24' ' ' VAL . 80.9 p -56.98 177.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.6 110.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.7 p -52.4 104.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.734 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -81.03 98.42 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.77 113.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 26' ' ' VAL . 94.5 t -66.62 133.87 94.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.564 ' HG2' HD12 ' A' ' 116' ' ' LEU . 53.8 Cg_endo -69.81 145.74 57.81 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.584 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.78 -21.8 32.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.71 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' ' 27' ' ' GLN . 87.3 mt -91.24 -33.74 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.475 HD23 HD22 ' A' ' 82' ' ' LEU . 21.7 mt -63.27 -40.73 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.599 HG23 ' HD2' ' A' ' 119' ' ' PRO . 6.2 p -75.48 137.5 71.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.582 0.706 . . . . 0.0 111.184 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.75 154.78 67.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.1 58.11 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.26 . . . . 0.0 112.326 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.1 t -41.2 141.01 1.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.506 0.67 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.97 13.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.773 2.315 . . . . 0.0 112.336 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 124' ' ' PRO . 36.9 t60 -166.46 138.1 2.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 123' ' ' HIS . 53.9 Cg_endo -69.8 129.1 16.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -164.55 123.28 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -105.24 -172.26 24.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.553 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 174.9 8.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.0 p -141.94 158.37 43.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 m -73.45 -56.26 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -75.58 152.34 37.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -81.99 115.81 21.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.16 -76.89 0.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m 48.52 41.9 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -61.52 164.89 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.54 -56.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.91 141.21 41.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -101.43 106.91 18.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -74.16 123.13 23.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.6 m -135.21 133.04 38.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -76.82 89.04 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mp -52.05 154.19 4.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 131.39 21.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB3' ' HG2' ' A' ' 101' ' ' GLN . . . -135.41 156.14 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.433 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 62.54 170.66 1.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.82 150.04 89.67 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.78 41.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.51 118.74 17.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 147.79 63.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.74 18.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -141.57 -176.29 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 54.5 36.85 26.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.746 HG21 ' OG ' ' A' ' 107' ' ' SER . 40.4 t -69.47 125.07 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.15 155.19 42.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 112' ' ' VAL . 69.8 t -110.78 108.28 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -86.03 -75.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 135.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.01 141.73 18.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.47 -24.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.927 0.394 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLY . 5.2 p -120.83 156.71 56.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.72 12.57 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.95 3.29 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -133.41 169.21 17.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.712 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.2 pt -134.68 168.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -117.95 100.89 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.88 100.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -93.67 140.99 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' HG21 ' A' ' 95' ' ' VAL . 22.4 p90 -148.08 -175.23 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -121.4 105.71 38.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.85 20.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.71 45.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.56 136.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' THR . 89.5 mt -109.9 131.06 55.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.7 p -37.54 158.03 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.7 15.89 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 45' ' ' THR . 81.6 p -127.26 -16.72 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.755 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.41 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 48' ' ' GLY . 14.6 mt -156.42 135.81 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.5 t -88.44 -71.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 17' ' ' PRO . 52.6 t-20 -112.66 21.77 15.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.13 -18.44 11.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.62 168.42 10.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -97.11 96.74 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -67.02 113.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -108.64 7.57 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.66 179.98 26.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -118.31 175.86 5.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.36 131.84 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG11 HG21 ' A' ' 80' ' ' VAL . 16.5 t -96.94 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CG ' ' NH1' ' A' ' 96' ' ' ARG . 26.9 m-85 -138.96 150.76 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -113.04 -71.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.755 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 6.9 mmpt? -119.25 46.76 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.35 12.39 73.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -128.88 113.48 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 15.6 ttp-105 -46.75 116.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -99.62 -29.31 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.67 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.36 165.17 33.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.7 124.22 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.1 p -110.17 122.36 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.6 ' O ' HG22 ' A' ' 71' ' ' ILE . 32.6 mm -78.71 44.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.86 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -135.28 114.34 11.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.27 29.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.2 p -104.15 23.01 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.86 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.81 134.96 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.65 7.78 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.4 p -170.46 133.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.04 152.87 49.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.31 27.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 68' ' ' ALA . 86.9 t -137.86 141.48 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.38 127.65 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.712 HD21 ' CG2' ' A' ' 35' ' ' ILE . 58.5 mt -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.56 -38.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 88' ' ' LEU . 84.7 mtt-85 -60.16 -28.04 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.38 -21.74 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -71.22 -56.32 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.1 -40.25 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.1 mt -90.15 -15.7 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 62.61 36.24 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.755 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.77 129.39 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.99 20.07 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.41 155.25 23.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -131.33 174.83 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 109' ' ' VAL . 45.1 p -144.68 175.67 10.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.611 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.2 t -133.88 125.79 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.577 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 32.0 mtt85 -113.79 139.27 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 m -80.53 108.99 14.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.12 139.22 34.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.3 p -152.86 170.19 20.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.51 -26.87 67.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.496 HE21 ' N ' ' A' ' 101' ' ' GLN . 0.0 OUTLIER -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.91 -155.53 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -109.44 169.81 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 p -120.55 166.58 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.2 m -45.15 160.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' HB3' ' NH2' ' A' ' 96' ' ' ARG . 0.2 OUTLIER -81.0 128.67 33.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.746 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.0 p -59.76 179.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.96 110.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -50.34 105.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.27 97.85 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.77 109.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 113' ' ' PRO . 85.6 t -63.76 137.44 97.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.618 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.8 Cg_endo -69.69 145.26 57.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.655 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.77 -23.86 30.27 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.59 -36.77 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -82.77 -29.19 29.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 114' ' ' PRO . 22.3 mt -68.94 -37.1 78.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 114' ' ' PRO . 7.6 p -85.35 137.48 36.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.2 Cg_endo -69.73 169.06 19.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.0 32.47 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.8 t -138.47 141.94 33.05 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.58 0.705 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 159.29 53.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.31 120.13 74.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 146.4 59.78 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.2 p -153.08 155.78 37.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.19 -95.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 107.13 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.339 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.1 p -85.84 118.85 25.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.1 p -83.39 140.99 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -88.18 142.98 27.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.5 m -129.25 157.67 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.05 120.23 18.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -156.41 168.28 27.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -53.54 157.74 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.46 -145.97 8.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.8 t -123.86 119.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.72 174.23 7.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -106.21 50.46 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 m -108.54 -44.05 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -53.68 114.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 mt -53.73 153.29 8.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 137.27 35.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 154.88 33.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.53 177.74 27.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.31 93.27 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.348 0.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 118.81 5.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.2 66.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.734 2.29 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 172.06 13.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -144.14 -179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 60.41 33.4 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG21 ' OG ' ' A' ' 107' ' ' SER . 59.0 t -66.1 127.42 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.98 158.84 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.474 HG13 ' HB ' ' A' ' 35' ' ' ILE . 85.3 t -115.12 112.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -91.81 -75.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.87 134.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -84.53 145.69 22.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -40.44 -30.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -119.17 157.57 50.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.03 3.99 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 81' ' ' GLU . 63.5 p -137.45 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.735 HG23 HD21 ' A' ' 82' ' ' LEU . 5.2 pt -137.57 174.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -123.4 99.4 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -83.05 100.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -93.22 141.69 28.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.744 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.9 p90 -149.39 -175.44 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -121.3 106.2 38.49 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.05 18.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.34 54.07 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.711 2.274 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.62 141.26 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 94.6 mt -114.36 133.53 55.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 24.5 p -37.55 158.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.7 14.98 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 66.9 p -127.65 -20.26 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.755 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 112.57 55.48 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.5 mt -155.76 129.84 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.3 t -82.68 -71.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -114.65 27.76 9.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.75 25.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.45 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -92.85 94.53 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.87 124.07 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.5 p -118.08 4.66 12.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.59 -174.28 34.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -121.87 173.42 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.06 133.8 5.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.866 HG11 HG21 ' A' ' 80' ' ' VAL . 60.0 t -99.74 131.52 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -129.97 150.87 51.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -116.17 -67.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.773 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.0 mmpt? -124.93 44.6 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.44 13.39 68.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -128.22 113.28 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -50.84 108.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 m -89.2 -38.84 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -144.12 165.95 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.32 123.03 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.97 122.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 71' ' ' ILE . 29.0 mm -78.31 45.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.917 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.9 t80 -133.51 115.54 13.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.71 0.767 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -28.83 24.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 p -104.11 28.5 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -83.26 133.32 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.67 11.0 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.808 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p -171.1 137.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 t -143.89 155.16 43.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.62 145.18 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.866 HG21 HG11 ' A' ' 60' ' ' VAL . 85.5 t -141.37 137.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.533 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.7 mt-10 -72.91 128.3 35.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 35' ' ' ILE . 51.8 mt -74.45 -31.0 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.7 p -56.21 -42.38 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 88' ' ' LEU . 47.3 mtp85 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 82' ' ' LEU . 9.5 mt -80.26 -27.07 38.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -68.2 -59.29 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -49.9 -40.19 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.3 mt -88.85 -17.92 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' LEU . 34.8 mt-10 64.48 38.04 7.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.773 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.5 126.67 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -98.44 26.37 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.15 158.53 22.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.34 171.64 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 109' ' ' VAL . 28.4 p -144.88 168.61 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.744 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.6 t -130.82 128.51 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -118.72 135.34 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 m -74.46 108.46 7.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 39.0 mt -82.06 139.66 34.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -150.79 175.86 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.34 67.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -81.68 -43.16 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.24 -153.59 23.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -110.48 173.68 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 p -122.45 170.19 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -47.97 164.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.91 122.55 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.47 ' OG ' HG21 ' A' ' 24' ' ' VAL . 35.8 p -56.7 178.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.19 108.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -50.11 104.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.444 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.58 98.32 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.4 113.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.657 HG13 ' HD2' ' A' ' 113' ' ' PRO . 84.3 t -65.82 138.62 96.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.657 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.8 145.61 57.46 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.1 Cg_endo -69.78 -22.47 31.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.5 pt-20 -70.97 -36.09 72.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 80.7 mt -80.0 -37.09 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 114' ' ' PRO . 22.4 mt -61.84 -33.76 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 114' ' ' PRO . 11.2 p -87.35 128.44 55.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.706 0.765 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 154.81 67.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.733 2.289 . . . . 0.0 112.312 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.87 61.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.561 HG23 ' HD2' ' A' ' 122' ' ' PRO . 41.2 m -110.62 137.48 20.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.528 0.68 . . . . 0.0 111.202 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.561 ' HD2' HG23 ' A' ' 121' ' ' THR . 54.0 Cg_endo -69.71 -46.89 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.672 2.248 . . . . 0.0 112.401 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -69.99 118.4 63.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -177.6 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 96.4 p -138.09 110.95 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.54 -101.05 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.47 4.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 68.7 p -171.65 106.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.0 p -59.45 153.77 18.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -53.15 155.93 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m -111.28 -46.43 3.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.61 171.18 21.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -121.51 145.82 47.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.946 0.403 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -58.14 155.87 10.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.82 125.05 29.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.6 116.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -97.78 102.6 14.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.32 167.29 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.3 m -104.17 -57.12 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p 45.32 40.22 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 mt -49.01 150.39 2.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.731 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 130.11 18.81 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.27 134.13 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.24 177.63 46.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 155.04 93.54 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.303 0.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 137.06 34.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.21 119.28 16.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.521 0.677 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.32 69.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 175.5 8.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -146.87 179.43 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 58.33 30.02 18.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG21 ' OG ' ' A' ' 107' ' ' SER . 47.5 t -63.06 127.64 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.33 166.27 28.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG13 ' HB ' ' A' ' 35' ' ' ILE . 87.4 t -120.28 112.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -91.73 -75.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.48 136.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.72 147.18 21.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -40.62 -25.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.414 . . . . 0.0 111.179 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.2 p -126.02 158.81 64.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.59 0.709 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.04 6.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.34 4.0 18.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 81' ' ' GLU . 35.9 p -138.25 173.13 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.821 HG23 HD21 ' A' ' 82' ' ' LEU . 9.6 pt -134.69 176.51 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -125.38 96.8 4.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.53 98.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 m -92.9 140.32 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.627 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.0 p90 -150.04 -177.08 5.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -118.51 107.8 42.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 128.72 16.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.91 49.13 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.52 144.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 50' ' ' SER . 87.6 mt -119.26 130.4 55.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 36.0 p -37.61 157.68 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.76 14.11 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.449 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.7 p -128.03 -8.0 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.696 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 97.14 61.55 0.94 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 48' ' ' GLY . 24.0 mt -158.0 126.66 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.512 ' HA ' HD23 ' A' ' 44' ' ' LEU . 43.4 t -76.06 -75.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -113.84 30.12 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 -14.15 33.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.07 156.98 17.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.1 m-20 -85.09 98.19 10.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.2 t -76.26 120.94 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.72 -12.87 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.54 -166.68 39.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -122.85 173.98 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.93 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.2 129.63 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.437 HG12 ' CG2' ' A' ' 67' ' ' VAL . 48.2 t -94.33 140.48 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -131.27 156.07 46.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.535 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -148.77 105.0 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.698 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.4 mmpt? 68.62 31.74 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.9 26.61 48.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' A' ' 88' ' ' LEU . 8.5 mt-30 -142.5 117.68 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 19.0 ttp-105 -58.9 127.95 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG12 ' HB3' ' A' ' 84' ' ' ARG . 7.2 m -105.95 -24.46 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.515 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -159.04 173.35 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -165.56 122.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -107.18 123.15 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.606 ' O ' HG22 ' A' ' 71' ' ' ILE . 32.5 mm -79.8 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.862 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 t80 -132.67 115.12 14.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -27.98 25.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.527 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 76.0 p -102.93 26.01 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.862 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.39 136.72 36.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -116.82 8.32 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.3 p -169.25 136.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -140.34 146.24 38.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.32 144.55 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 68' ' ' ALA . 98.5 t -142.68 141.45 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' HG22 ' A' ' 34' ' ' THR . 6.1 mt-10 -75.11 126.64 31.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.821 HD21 HG23 ' A' ' 35' ' ' ILE . 50.9 mt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.491 ' HA ' ' CG ' ' A' ' 86' ' ' ARG . 5.2 p -53.25 -43.55 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' N ' HG13 ' A' ' 83' ' ' VAL . 50.9 mtp85 -54.62 -37.51 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.5 mt -71.87 -13.41 61.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.879 ' CZ ' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -83.35 -54.24 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -51.4 -28.9 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 62' ' ' ALA . 3.1 mt -105.46 -13.02 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 63.45 36.78 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.698 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -77.83 125.98 30.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -97.0 23.52 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.6 161.11 28.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 m -130.59 166.06 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.9 p -137.0 168.81 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.627 HG21 ' CE3' ' A' ' 39' ' ' TRP . 10.8 t -133.39 123.33 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -115.51 133.27 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -72.74 112.37 8.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 138.61 32.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.3 p -148.37 166.12 29.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.16 -30.39 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -77.53 -45.15 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.97 -152.76 20.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -112.37 170.05 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 105' ' ' VAL . 3.3 t -116.19 174.68 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.413 ' N ' ' OG ' ' A' ' 104' ' ' SER . 32.5 m -54.58 163.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.51 120.62 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.58 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.5 p -57.81 175.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.44 113.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -54.44 104.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -79.54 98.02 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.13 111.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 113' ' ' PRO . 93.9 t -67.97 138.44 92.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.73 144.11 53.13 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.457 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.76 -17.62 37.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.326 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.86 -37.53 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.81 -30.88 45.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.879 HD22 ' CZ ' ' A' ' 86' ' ' ARG . 46.2 mt -66.19 -40.97 90.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 114' ' ' PRO . 7.1 p -81.19 131.67 58.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 168.29 21.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.52 45.62 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.3 t -71.11 139.83 85.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.6 16.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.67 150.62 93.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -30.97 21.45 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -61.62 139.51 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -116.64 80.2 0.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 178.23 4.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.4 p -40.84 118.33 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.8 p -157.51 139.0 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -130.9 102.83 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -106.99 92.14 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.23 60.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -57.99 130.95 48.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.812 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -128.12 151.98 48.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' OE1' ' A' ' 9' ' ' GLU . . . -141.18 -140.12 3.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.519 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 8' ' ' VAL . 21.1 m -69.84 82.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 7' ' ' GLY . 21.2 mp0 -142.64 135.78 28.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -82.72 43.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 m -102.88 160.31 14.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 12' ' ' THR . 4.7 t -38.03 109.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.2 141.69 40.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 132.48 23.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.55 125.36 21.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 82.07 173.33 48.57 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.3 Cg_endo -69.72 151.68 91.54 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.334 0.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.75 36.16 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.9 117.15 8.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 149.58 67.59 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 171.33 14.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -142.9 -177.12 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 54.24 35.72 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 ' OG ' ' A' ' 107' ' ' SER . 63.3 t -68.19 129.14 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.71 169.68 19.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG13 ' HB ' ' A' ' 35' ' ' ILE . 76.2 t -123.24 110.04 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -88.33 -75.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.25 138.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.463 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -90.54 142.44 16.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -38.98 -29.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 29' ' ' GLY . 6.3 p -119.07 156.62 52.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -3.4 11.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.15 -5.11 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 81' ' ' GLU . 66.2 p -131.22 167.92 18.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.637 ' CG2' HD21 ' A' ' 82' ' ' LEU . 7.5 pt -131.93 179.43 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -125.64 104.59 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.72 102.45 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -95.0 139.05 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.502 ' CE3' HG21 ' A' ' 95' ' ' VAL . 21.4 p90 -147.13 -178.61 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -117.21 105.04 49.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.23 17.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 138.72 38.54 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.76 134.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.2 mt -107.08 135.69 48.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 23.6 p -42.21 158.5 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.75 13.16 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.8 p -127.53 -11.69 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.718 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.19 62.11 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 48' ' ' GLY . 18.1 mt -157.36 128.45 6.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 31.4 t -79.73 -69.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -118.83 32.73 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.49 -11.89 47.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.556 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB1' ' OE1' ' A' ' 101' ' ' GLN . . . -103.39 155.0 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' HB2' ' A' ' 99' ' ' SER . 4.0 m120 -82.46 91.51 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.3 119.98 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.45 -13.62 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.45 -164.26 36.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 89.4 m-85 -124.89 173.9 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.55 129.23 3.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG12 ' CG2' ' A' ' 67' ' ' VAL . 47.7 t -94.13 143.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -139.17 149.72 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -118.32 -73.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.748 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.0 mmpt? -118.98 46.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 14.25 70.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -131.88 113.3 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 39.3 ttp180 -47.88 114.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.773 HG12 HH11 ' A' ' 84' ' ' ARG . 3.4 m -93.99 -31.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.29 165.75 33.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 10.2 pt-20 -162.69 124.37 2.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -110.38 123.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 71' ' ' ILE . 14.0 mm -77.84 46.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.871 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 t80 -135.63 114.7 11.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.31 26.64 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.9 p -103.2 25.15 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.26 137.9 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.01 11.23 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.1 p -172.19 129.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.15 153.54 50.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 144.28 27.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.44 142.76 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.556 ' HA ' HG22 ' A' ' 34' ' ' THR . 3.9 mt-10 -80.59 124.81 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.637 HD21 ' CG2' ' A' ' 35' ' ' ILE . 82.4 mt -71.53 -31.18 66.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.3 p -56.76 -41.25 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.773 HH11 HG12 ' A' ' 67' ' ' VAL . 7.5 mtp-105 -59.55 -24.32 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 82' ' ' LEU . 6.8 mt -83.4 -26.48 30.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -67.61 -57.64 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -49.29 -38.65 28.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.5 mt -92.2 -18.16 23.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' LEU . 30.1 mt-10 65.39 38.07 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.748 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.75 126.82 32.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -98.16 18.81 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.73 158.05 30.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.7 170.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.6 p -143.04 173.56 11.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.502 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.2 t -136.1 131.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -123.32 131.57 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.2 m -73.12 111.0 7.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.06 141.15 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 97.8 p -151.06 179.3 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.78 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.555 ' OE1' ' HB1' ' A' ' 53' ' ' ALA . 17.3 mp0 -73.93 -47.77 35.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.78 -136.59 4.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -122.31 170.04 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 t -118.31 171.59 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -52.28 163.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.59 122.96 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.435 ' OG ' HG21 ' A' ' 24' ' ' VAL . 21.2 p -57.43 -178.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.09 112.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.068 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -54.2 105.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.69 98.14 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.54 111.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 113' ' ' PRO . 94.1 t -65.32 138.03 96.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.3 Cg_endo -69.74 145.12 56.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.434 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.4 Cg_endo -69.77 -19.04 36.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -74.15 -35.5 64.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.6 mt -80.57 -33.67 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 114' ' ' PRO . 27.3 mt -65.13 -30.77 71.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.6 p -90.49 133.9 32.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.147 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 165.09 32.14 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.258 . . . . 0.0 112.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.22 54.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.661 HG23 ' HD2' ' A' ' 122' ' ' PRO . 91.1 m -142.46 139.09 17.04 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.563 0.697 . . . . 0.0 111.181 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 121' ' ' THR . 54.2 Cg_endo -69.69 -47.45 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.386 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -103.9 133.6 20.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.653 0.739 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.714 2.276 . . . . 0.0 112.4 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.7 m -72.52 105.39 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 177.91 135.96 2.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.09 3.81 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.8 p 60.41 43.23 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.2 m 51.67 39.3 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -149.19 131.89 15.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -118.22 167.65 11.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.03 66.06 0.55 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -169.96 143.49 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.909 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -85.57 -46.38 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 103.93 -108.98 3.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.67 ' O ' HG22 ' A' ' 8' ' ' VAL . 11.6 p 34.29 38.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -110.1 107.87 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 52.88 42.54 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 m -77.17 135.89 38.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -79.78 98.99 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.24 143.84 98.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.594 0.711 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 140.98 44.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.5 146.11 45.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 63.22 171.42 1.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.82 148.56 87.11 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.342 0.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.86 43.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.05 119.77 24.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.24 66.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.84 13.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -144.28 178.14 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 62.68 25.68 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.607 HG21 ' OG ' ' A' ' 107' ' ' SER . 44.0 t -58.29 127.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 165.39 31.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 116' ' ' LEU . 85.4 t -121.29 113.71 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.07 -75.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.93 138.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.6 141.07 16.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLY . 65.3 t -37.89 -29.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.5 p -119.91 158.19 50.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.564 0.697 . . . . 0.0 111.167 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.53 16.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.9 8.13 26.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.524 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.8 p -140.66 171.76 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.771 ' CG2' HD21 ' A' ' 82' ' ' LEU . 7.0 pt -135.58 179.3 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -128.12 100.63 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.36 99.07 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -91.87 145.38 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.1 p90 -152.06 -175.12 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -120.97 104.72 41.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.8 15.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.1 69.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.2 136.62 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 50' ' ' SER . 81.8 mt -110.12 131.62 54.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.4 p -37.44 157.65 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.547 0.689 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 14.21 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.389 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.449 ' H ' ' C ' ' A' ' 45' ' ' THR . 64.0 p -127.06 -11.39 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.49 59.27 0.79 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 48' ' ' GLY . 14.9 mt -156.5 135.19 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.441 ' HB2' HG21 ' A' ' 55' ' ' VAL . 10.8 t -85.46 -72.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -114.38 20.36 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.15 -11.37 11.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.97 161.58 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -87.56 94.68 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 73' ' ' PRO . 57.9 t -68.15 111.51 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.5 p -104.73 -5.32 21.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.6 -174.34 38.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.9 m-85 -117.66 174.55 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.85 132.76 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 80' ' ' VAL . 28.7 t -100.14 138.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 90.4 m-85 -137.07 154.43 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -121.17 -70.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.777 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.6 mmpt? -122.06 46.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.74 9.37 71.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -129.52 113.61 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 30.8 ttp180 -50.76 112.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.613 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.3 m -87.43 -26.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.578 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -158.13 176.37 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -169.27 131.88 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.18 123.18 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.479 ' O ' HG22 ' A' ' 71' ' ' ILE . 21.8 mm -79.05 45.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.801 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.5 t80 -135.43 113.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HB3' HG12 ' A' ' 55' ' ' VAL . 53.6 Cg_endo -69.84 -23.95 29.88 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.0 p -104.81 24.11 12.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.801 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -77.5 145.72 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.72 -1.42 10.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.3 m -168.18 138.51 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 t -139.41 143.04 37.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.07 143.75 39.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.65 HG21 HG11 ' A' ' 60' ' ' VAL . 87.4 t -139.53 140.85 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.524 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.1 mt-10 -75.13 130.01 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.771 HD21 ' CG2' ' A' ' 35' ' ' ILE . 60.6 mt -75.98 -28.78 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.35 -37.78 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.613 ' HB3' HG12 ' A' ' 67' ' ' VAL . 40.7 mtp85 -62.3 -21.07 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.2 mt -88.98 -26.05 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -67.1 -54.5 20.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.64 -36.98 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.6 mt -94.1 -14.29 25.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' LEU . 39.4 mt-10 62.33 37.12 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.777 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.16 133.45 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -105.57 15.02 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.69 153.65 23.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.59 168.55 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 109' ' ' VAL . 21.7 p -137.78 168.43 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.47 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.8 t -131.88 119.22 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -112.14 132.44 54.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 m -70.4 112.38 6.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.8 mt -84.15 145.66 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.1 p -157.17 168.25 27.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.91 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 17.1 mp0 -72.75 -44.35 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.66 -153.37 22.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -109.98 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -120.35 175.23 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.6 m -55.4 162.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.73 122.55 27.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.607 ' OG ' HG21 ' A' ' 24' ' ' VAL . 85.9 p -58.8 175.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 103.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -45.05 104.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.48 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -80.69 98.47 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.1 112.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' HD2' ' A' ' 113' ' ' PRO . 87.7 t -63.84 136.52 96.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.8 Cg_endo -69.76 144.81 55.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.48 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.77 -15.06 36.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -77.02 -35.89 56.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.456 HD12 ' CG ' ' A' ' 113' ' ' PRO . 85.8 mt -76.11 -35.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 114' ' ' PRO . 8.2 mt -70.56 -27.53 64.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 1.7 t -75.74 138.46 70.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 162.31 42.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.65 69.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.572 HG23 ' HD2' ' A' ' 122' ' ' PRO . 58.8 m -118.73 137.7 25.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.548 0.689 . . . . 0.0 111.155 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.572 ' HD2' HG23 ' A' ' 121' ' ' THR . 53.5 Cg_endo -69.77 146.18 59.34 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -80.57 143.52 55.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -30.59 22.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 m -77.56 117.29 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.84 -89.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 70.2 m -93.89 97.62 10.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.2 t -78.06 -46.14 21.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.533 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -47.68 -61.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 53.71 42.22 31.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.16 94.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -109.6 87.22 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t 51.57 42.31 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.71 178.83 25.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.7 p -114.56 133.4 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -97.81 175.78 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 21.1 p90 -106.74 119.37 39.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 m -98.48 118.06 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 p -111.09 103.63 12.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -77.37 156.8 81.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 114.83 3.83 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -156.88 155.37 31.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.54 -178.57 41.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.29 91.36 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.318 0.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 142.11 47.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 118.67 32.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.444 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 54.0 Cg_endo -69.74 147.55 63.23 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -142.91 -175.07 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.19 34.92 21.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' OG ' ' A' ' 107' ' ' SER . 43.4 t -66.55 134.71 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -153.65 169.44 23.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 35' ' ' ILE . 87.4 t -126.71 111.92 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.7 -75.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.84 138.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -89.47 140.17 15.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 62.1 t -35.06 -31.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -115.75 157.18 45.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.43 16.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.264 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.97 5.72 24.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.2 p -135.99 171.5 14.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.623 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.7 pt -137.2 169.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -117.38 100.94 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.7 t -83.35 99.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -92.77 141.06 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.481 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 23.4 p90 -147.92 -178.9 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -117.11 107.46 45.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.7 13.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.94 36.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -40.34 142.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 96.2 mt -117.21 134.93 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.484 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 25.9 p -37.91 158.02 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.578 0.704 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.78 12.13 0.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 45' ' ' THR . 42.5 p -126.79 -15.32 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.3 61.31 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.0 mt -154.34 131.7 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.577 ' HB2' HG21 ' A' ' 55' ' ' VAL . 2.6 t -103.77 98.44 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 71.52 24.99 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.608 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 97.37 -10.09 65.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.05 155.01 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.405 ' C ' ' HB2' ' A' ' 99' ' ' SER . 16.5 t-20 -94.18 85.95 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' A' ' 50' ' ' SER . 48.9 t -66.09 114.37 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.6 p -112.65 3.0 16.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.43 178.93 32.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' HG23 ' A' ' 97' ' ' THR . 96.6 m-85 -117.89 173.67 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.945 0.403 . . . . 0.0 110.958 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.87 137.2 6.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG11 HG21 ' A' ' 80' ' ' VAL . 17.1 t -101.2 140.16 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -133.79 141.83 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -110.65 -72.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.919 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 23.4 mmmt -119.74 46.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.14 16.95 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.407 ' NE2' HD21 ' A' ' 88' ' ' LEU . 76.3 mt-30 -134.5 112.13 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' CZ ' ' OE1' ' A' ' 69' ' ' GLU . 35.1 ttp180 -48.05 119.86 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 84' ' ' ARG . 14.1 m -101.38 -35.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.648 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -144.56 165.28 28.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE1' ' CZ ' ' A' ' 66' ' ' ARG . 6.2 pt-20 -160.78 126.04 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.8 p -111.91 121.0 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.082 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.499 ' O ' HG22 ' A' ' 71' ' ' ILE . 23.9 mm -78.3 44.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.872 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -133.02 115.27 14.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.87 28.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.544 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 13.2 p -104.15 23.83 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.872 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.32 135.42 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -119.45 10.48 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.0 p -172.58 130.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -137.61 156.11 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.92 145.88 25.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.648 HG22 ' CB ' ' A' ' 68' ' ' ALA . 91.4 t -143.13 139.39 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.8 127.94 34.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.623 HD21 ' CG2' ' A' ' 35' ' ' ILE . 47.1 mt -74.61 -31.63 62.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.95 -38.85 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 67' ' ' VAL . 52.7 mtt-85 -60.01 -29.17 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.9 mt -79.83 -21.72 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -71.11 -55.5 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.77 -39.59 58.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD21 ' NE2' ' A' ' 65' ' ' GLN . 4.4 mt -90.87 -17.6 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.0 mt-10 64.68 36.1 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.919 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -73.99 134.02 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -103.91 14.97 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.32 156.11 24.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.0 m -127.82 167.28 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 109' ' ' VAL . 31.1 p -137.99 174.99 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.444 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.6 t -135.34 122.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -113.48 133.4 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 58' ' ' TYR . 2.4 m -73.54 110.8 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -84.81 144.29 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.405 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 95.9 p -155.81 -179.34 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 27.5 mp0 -72.97 -50.67 21.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.97 -144.82 8.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -115.35 161.42 18.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.6 p -111.76 171.12 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 20' ' ' PRO . 34.1 m -47.4 164.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.75 124.92 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.8 p -58.6 176.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.72 109.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.9 p -51.97 104.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.76 98.27 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.16 113.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 113' ' ' PRO . 59.2 t -66.5 137.28 95.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.72 145.95 58.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.393 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.62 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.4 Cg_endo -69.82 -25.57 28.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.7 pt-20 -66.57 -31.54 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 66.5 mt -87.17 -32.42 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 114' ' ' PRO . 18.7 mt -67.94 -40.08 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 114' ' ' PRO . 9.1 p -78.7 137.38 58.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.568 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.73 169.64 18.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 133.03 24.58 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.72 2.28 . . . . 0.0 112.293 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.531 HG23 ' HD2' ' A' ' 122' ' ' PRO . 34.2 m -110.74 137.37 20.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.531 ' HD2' HG23 ' A' ' 121' ' ' THR . 54.3 Cg_endo -69.74 152.96 69.55 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -60.43 113.22 6.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 163.88 36.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.0 p -149.19 143.5 25.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -45.79 171.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.95 52.25 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.0 p -91.71 42.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 84.0 p -122.07 151.62 40.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -126.79 -47.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -84.21 90.61 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.42 -86.83 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -113.88 -52.85 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.0 p 40.65 40.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.06 130.77 10.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -95.57 135.37 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -94.7 135.64 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -83.74 165.38 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 26.0 p -129.3 -38.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' SER . 73.4 p 35.99 42.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -86.56 143.45 36.12 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.559 0.695 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 139.05 39.25 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.629 2.219 . . . . 0.0 112.372 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.06 154.02 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 71.14 172.99 14.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.81 154.75 93.5 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.329 0.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 131.65 21.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.0 117.85 4.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.96 66.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.6 14.16 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -143.1 -178.72 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.55 35.11 25.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 110' ' ' ALA . 67.9 t -67.43 128.72 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.09 168.27 22.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 ' HB ' ' A' ' 35' ' ' ILE . 91.2 t -121.9 113.94 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -94.07 -75.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 136.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.07 141.12 16.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.9 t -36.15 -30.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' GLY . 4.5 p -117.75 156.92 49.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.62 8.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.78 6.67 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 81' ' ' GLU . 57.8 p -137.16 171.17 14.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.651 HG23 HD21 ' A' ' 82' ' ' LEU . 5.1 pt -135.19 169.0 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -117.92 102.44 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.8 t -82.98 100.33 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 m -93.29 142.59 27.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.2 p90 -151.49 -176.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -120.79 106.17 39.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 142.08 47.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.89 137.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 90.9 mt -112.02 131.32 55.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.8 p -37.35 157.99 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 15.27 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 45' ' ' THR . 40.7 p -127.26 -16.33 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.547 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.01 56.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 54' ' ' ASN . 14.2 mt -154.77 134.05 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 12.9 t -84.1 -72.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.817 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -114.86 34.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.65 -18.23 44.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.04 154.77 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.613 ' HA ' HD23 ' A' ' 49' ' ' LEU . 4.0 t-20 -82.45 104.03 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 73' ' ' PRO . 35.4 t -75.47 113.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -108.64 6.8 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.39 -173.83 29.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.2 m-85 -120.94 173.78 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.872 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.08 131.32 4.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 HG21 ' A' ' 80' ' ' VAL . 18.0 t -98.97 141.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -137.12 148.51 46.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.42 -75.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.765 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.0 mmpt? -118.65 50.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.85 15.11 76.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.18 112.84 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -48.62 115.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.623 HG12 HH11 ' A' ' 84' ' ' ARG . 14.1 m -95.45 -37.87 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -143.63 164.82 29.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -161.37 121.98 2.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.47 123.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.617 ' O ' HG22 ' A' ' 71' ' ' ILE . 30.3 mm -78.45 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.884 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.6 t80 -134.11 114.23 12.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HB3' HG12 ' A' ' 55' ' ' VAL . 54.0 Cg_endo -69.77 -27.9 25.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.3 p -103.87 27.35 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.884 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.68 144.37 32.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -123.11 5.4 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.6 p -169.84 134.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -139.43 156.98 46.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.83 145.17 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.715 HG22 ' CB ' ' A' ' 68' ' ' ALA . 60.6 t -140.92 140.07 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.516 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.5 mt-10 -74.63 126.79 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 35' ' ' ILE . 30.4 mt -73.01 -31.33 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.64 -38.49 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.623 HH11 HG12 ' A' ' 67' ' ' VAL . 6.3 mtp-105 -62.47 -21.15 65.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 82' ' ' LEU . 10.8 mt -88.36 -27.23 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -66.53 -57.46 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.81 -38.22 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.1 mt -91.74 -15.26 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.3 mm-40 61.37 38.57 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.765 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -79.97 131.47 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -103.38 25.36 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.9 151.54 10.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.23 171.06 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 109' ' ' VAL . 30.3 p -143.62 171.66 13.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.582 HG21 ' CE3' ' A' ' 39' ' ' TRP . 13.1 t -133.16 132.04 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -122.67 135.07 54.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.9 m -74.03 108.4 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 44.8 mt -77.75 145.42 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.9 p -162.53 161.39 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.22 -31.48 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.449 ' N ' ' OE1' ' A' ' 101' ' ' GLN . 12.6 mp0 -75.02 -44.63 46.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.06 170.63 25.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -78.0 173.9 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.3 p -123.02 167.87 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.8 m -46.16 163.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.89 122.48 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.519 ' OG ' HG21 ' A' ' 24' ' ' VAL . 55.4 p -57.03 177.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.4 114.24 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.0 p -53.97 105.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -82.07 98.13 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.39 109.54 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 113' ' ' PRO . 62.0 t -64.71 136.89 96.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.75 144.6 54.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.618 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.79 -26.09 27.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.03 -36.62 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.2 mt -82.39 -25.86 33.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 114' ' ' PRO . 31.8 mt -69.87 -39.75 76.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 119' ' ' PRO . 6.3 p -75.54 137.35 70.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 111.182 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.68 164.84 32.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 154.56 67.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.4 t -51.14 140.54 22.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.567 0.698 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 134.04 27.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 5.6 p80 -140.21 118.51 8.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.6 Cg_endo -69.8 -41.04 4.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 124' ' ' PRO . 5.4 t -34.39 134.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -170.55 169.35 42.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.31 13.16 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 t -78.0 -46.9 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -83.79 128.02 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -152.77 166.64 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -164.14 173.57 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.49 -175.79 41.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -166.36 167.1 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -112.07 173.44 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.39 167.62 13.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.86 151.64 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -65.82 150.48 48.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -87.54 128.6 35.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -104.41 123.26 47.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.3 p -105.5 93.66 4.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.32 148.87 81.21 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.59 0.71 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 121.73 8.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -135.97 148.68 48.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 66.73 173.8 5.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.1 Cg_endo -69.76 154.47 93.28 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.317 0.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 135.73 31.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.38 120.04 19.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.93 65.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 173.09 11.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.1 178.63 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.07 35.34 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.673 HG21 ' OG ' ' A' ' 107' ' ' SER . 30.8 t -70.87 128.93 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 165.94 30.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG21 HG22 ' A' ' 112' ' ' VAL . 58.5 t -120.36 111.4 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' HD11 ' A' ' 116' ' ' LEU . 34.7 mm-40 -89.75 -75.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.78 140.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.99 142.05 15.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.0 t -34.9 -32.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.1 p -115.82 157.13 45.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.557 0.694 . . . . 0.0 111.098 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.16 6.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.405 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.97 4.18 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 81' ' ' GLU . 70.0 p -133.38 164.34 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.769 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.1 pt -129.8 166.56 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -116.42 108.69 16.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 t -89.71 98.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.9 m -92.96 137.08 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.6 p90 -147.86 -178.29 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -118.47 106.35 44.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.19 17.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.28 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.6 63.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.0 t -48.89 144.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 50' ' ' SER . 81.7 mt -120.81 129.64 53.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 37.7 p -37.1 157.61 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.544 0.687 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.81 16.91 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -128.46 -14.42 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 105.34 57.86 0.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 54' ' ' ASN . 10.1 mt -152.47 141.08 20.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.601 ' HA ' HD23 ' A' ' 44' ' ' LEU . 22.7 t -88.59 -74.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -114.91 32.68 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 106.25 -10.97 43.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 101' ' ' GLN . . . -105.49 155.45 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.1 m-20 -81.01 103.73 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.24 118.2 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.5 p -102.7 -15.66 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.21 -165.45 38.9 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.413 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 m-85 -122.28 174.56 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.955 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.09 132.14 3.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.441 HG12 ' CG2' ' A' ' 67' ' ' VAL . 52.1 t -96.92 139.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -131.35 153.25 49.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.58 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -147.42 109.4 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.793 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.2 mmpt? 66.95 29.32 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.7 26.62 49.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -140.75 118.78 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -58.4 128.4 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.494 HG12 ' HB3' ' A' ' 84' ' ' ARG . 9.5 m -107.02 -29.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.525 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -154.9 177.99 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -170.43 120.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -105.52 122.24 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 71' ' ' ILE . 34.3 mm -78.35 45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.879 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -133.78 115.71 13.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -26.28 27.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 18.0 p -104.76 25.31 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -81.43 135.21 35.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -120.11 15.64 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.7 p -172.23 132.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -141.76 147.01 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.23 142.99 29.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.525 HG22 ' HB3' ' A' ' 68' ' ' ALA . 93.2 t -140.71 142.79 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HB3' HG12 ' A' ' 83' ' ' VAL . 6.0 mt-10 -76.57 121.66 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.769 HD21 ' CG2' ' A' ' 35' ' ' ILE . 10.3 mt -67.15 -33.38 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 81' ' ' GLU . 5.6 p -51.11 -39.61 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.494 ' HB3' HG12 ' A' ' 67' ' ' VAL . 51.6 mtp85 -61.32 -25.94 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.661 HD12 HD23 ' A' ' 82' ' ' LEU . 4.6 mt -82.1 -24.48 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -71.12 -55.66 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -51.93 -40.55 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 62' ' ' ALA . 3.5 mt -91.27 -13.07 33.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 60.08 36.73 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -76.43 122.24 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -92.01 26.31 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.39 161.01 25.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.02 166.44 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 109' ' ' VAL . 21.8 p -139.88 157.82 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.72 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.2 t -120.61 126.61 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -115.69 130.28 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -71.74 107.96 4.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 24.1 mt -78.98 138.48 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 p -155.19 167.48 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.01 -36.06 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.416 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 5.4 mp0 -70.38 -47.15 62.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.56 163.01 14.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -67.45 172.04 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.9 t -118.88 171.28 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.7 m -53.34 163.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 119.2 22.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.673 ' OG ' HG21 ' A' ' 24' ' ' VAL . 93.8 p -56.13 177.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.53 102.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -43.9 102.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.413 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -78.24 98.39 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.68 112.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 113' ' ' PRO . 92.3 t -68.25 138.49 91.92 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.615 0.721 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.74 144.92 55.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.579 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.74 -14.87 36.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.362 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -74.9 -37.47 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 27' ' ' GLN . 73.9 mt -82.43 -26.81 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 114' ' ' PRO . 35.2 mt -67.4 -37.19 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.611 HG23 ' HD2' ' A' ' 119' ' ' PRO . 6.3 p -77.71 137.66 62.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.611 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.78 167.14 25.32 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.344 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 162.08 43.46 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 t -62.64 133.22 94.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 131.7 21.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -95.93 120.97 62.13 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.604 0.716 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 164.8 33.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.2 m -124.49 172.47 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.56 -124.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.91 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.27 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.46 132.2 16.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 m -104.42 138.52 40.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -152.15 116.95 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -63.24 166.74 5.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.09 -156.5 18.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -146.11 173.7 11.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -90.55 150.87 21.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.86 -127.59 2.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -135.2 144.27 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -127.68 155.13 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -103.62 172.46 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.436 ' O ' HD12 ' A' ' 13' ' ' LEU . 32.2 m -66.56 159.94 26.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -89.99 89.85 7.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 11' ' ' SER . 5.5 mp -88.8 149.66 44.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.8 8.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.28 149.74 24.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 59.25 172.14 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.554 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.73 151.05 91.02 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.312 -0.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 140.98 44.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.31 118.91 24.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.15 69.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 172.02 13.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -142.22 -178.82 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.67 37.78 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' A' ' 110' ' ' ALA . 86.7 t -67.33 132.78 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -150.91 170.26 19.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 25' ' ' THR . 96.1 t -128.18 112.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.88 -75.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.0 140.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.99 140.15 15.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 94.1 t -35.76 -30.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.1 p -120.75 157.76 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.36 3.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.74 6.42 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.8 p -141.17 168.58 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 82' ' ' LEU . 4.2 pt -132.93 168.45 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -116.53 96.54 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 t -81.71 100.5 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.21 160.7 16.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.442 ' CE3' HG21 ' A' ' 95' ' ' VAL . 11.6 p90 -169.0 179.01 4.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 6.0 mmm180 -114.97 106.93 50.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 127.52 14.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.29 50.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.1 m -47.33 149.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 92.0 mt -124.42 131.85 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 24.9 p -38.13 158.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.73 13.35 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.441 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -126.84 -12.02 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.732 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.96 61.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.7 mt -156.78 131.54 8.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 32.5 t -83.15 -75.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -110.56 26.96 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.83 -13.04 29.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.47 163.47 12.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -90.38 91.32 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.39 118.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -106.35 -10.13 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.03 -173.91 40.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -117.48 172.68 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.92 130.8 4.02 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.652 HG11 HG21 ' A' ' 80' ' ' VAL . 40.0 t -94.09 139.84 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -136.64 155.85 49.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -122.95 -69.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.9 mmpt? -122.86 46.67 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.81 12.15 72.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -130.4 112.71 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -51.48 114.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 84' ' ' ARG . 3.6 m -93.82 -25.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.837 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -154.63 164.18 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.39 125.02 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.63 120.93 60.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 71' ' ' ILE . 15.9 mm -77.82 45.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.814 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -135.67 115.19 11.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -26.15 27.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.54 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 p -104.71 27.08 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.814 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.52 141.59 38.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -116.51 -4.97 11.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -164.8 137.52 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -138.72 146.9 42.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.36 146.5 28.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.837 HG22 ' CB ' ' A' ' 68' ' ' ALA . 99.2 t -140.45 143.87 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.6 mt-10 -76.45 129.54 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 35' ' ' ILE . 33.2 mt -75.65 -32.13 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 3.9 p -55.52 -41.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.523 ' HB3' HG12 ' A' ' 67' ' ' VAL . 33.2 mtp85 -60.68 -23.55 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 82' ' ' LEU . 13.2 mt -85.24 -23.04 28.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -71.57 -53.07 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -52.3 -34.33 46.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 84' ' ' ARG . 2.7 mt -96.52 -15.73 21.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 62.83 38.26 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.74 134.74 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -103.95 11.84 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.0 159.33 31.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.2 m -131.1 164.53 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 109' ' ' VAL . 22.4 p -138.14 170.44 16.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.442 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.6 t -131.99 130.89 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -121.79 132.85 54.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.3 m -75.6 109.35 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 103' ' ' GLU . 17.7 mt -82.58 150.3 26.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.436 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 69.1 p -164.93 179.36 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.54 -34.95 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -71.37 -52.0 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.08 -175.12 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 98' ' ' LEU . 17.5 mt-10 -86.17 160.36 19.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.7 p -109.26 168.62 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.6 m -49.04 164.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.63 120.61 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.517 ' OG ' HG21 ' A' ' 24' ' ' VAL . 58.8 p -56.25 -179.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.38 112.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.8 p -52.79 105.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.05 99.14 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.56 111.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 113' ' ' PRO . 88.6 t -65.69 136.12 95.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.83 144.19 52.87 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.4 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -75.56 -32.93 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 113' ' ' PRO . 90.8 mt -82.54 -28.3 31.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 114' ' ' PRO . 27.6 mt -72.09 -36.47 69.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 119' ' ' PRO . 12.0 p -76.14 134.44 70.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.1 Cg_endo -69.8 153.39 68.81 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 165.74 29.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 t -78.59 141.28 60.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 157.13 61.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -96.03 151.54 38.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 174.76 9.03 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' GLY . 22.0 t -118.05 -50.1 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 125' ' ' SER . . . -36.13 144.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -49.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.308 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 71.6 m -67.02 92.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.1 p -169.74 170.29 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -43.86 166.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -56.21 171.92 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.61 -148.53 8.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -142.06 170.4 15.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -97.38 161.69 13.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.08 -140.0 3.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.75 161.53 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -131.94 176.82 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -42.09 132.97 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m -76.78 153.02 35.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.1 p -133.0 41.06 3.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 mt -40.68 144.55 0.6 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 140.39 42.51 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.61 145.08 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 61.68 173.33 1.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.4 Cg_endo -69.75 147.79 85.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.32 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 133.99 26.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.31 119.53 9.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.41 69.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.53 12.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -144.98 -177.67 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 57.47 29.66 17.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG21 ' OG ' ' A' ' 107' ' ' SER . 62.1 t -62.89 128.6 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -146.66 170.14 17.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG13 ' HB ' ' A' ' 35' ' ' ILE . 55.8 t -127.17 111.74 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -91.43 -75.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.98 143.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.81 143.84 16.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' GLY . 61.4 t -36.58 -34.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.4 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.7 p -114.8 156.98 44.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 0.08 6.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.42 3.52 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -138.96 169.76 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.625 HG23 HD21 ' A' ' 82' ' ' LEU . 4.2 pt -134.39 174.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -119.75 107.46 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 t -89.88 99.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 m -94.77 142.53 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.759 ' CE3' HG21 ' A' ' 95' ' ' VAL . 18.2 p90 -149.34 -175.53 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.8 mmm-85 -120.12 106.91 40.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.26 17.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.58 40.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -45.39 142.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 50' ' ' SER . 85.0 mt -117.37 130.91 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.478 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.9 p -37.48 157.82 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.691 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.83 13.6 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.626 2.217 . . . . 0.0 112.351 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.442 ' H ' ' C ' ' A' ' 45' ' ' THR . 43.2 p -127.21 -10.39 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 100.67 59.97 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 48' ' ' GLY . 20.8 mt -156.85 125.29 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.602 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.7 t -76.21 -70.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -117.5 32.42 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.08 -12.14 40.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.07 11.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.335 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.17 111.53 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 97' ' ' THR . 49.0 t -87.83 118.71 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -101.52 -15.49 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.84 41.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -121.47 174.57 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.76 140.02 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 68' ' ' ALA . 90.2 t -106.29 140.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 4.7 m-85 -139.36 151.91 46.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.13 -75.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 4.4 mmpt? -114.13 37.73 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.12 8.95 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.691 ' OE1' HD11 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -121.68 135.68 54.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 16.8 ttm180 -73.58 98.81 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 68' ' ' ALA . 30.1 m -79.67 -42.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . . . -129.93 170.99 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -168.81 122.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.2 p -110.77 123.23 66.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 71' ' ' ILE . 29.2 mm -78.34 44.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.898 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -133.76 114.69 13.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -24.95 29.48 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.4 p -104.99 21.78 16.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.898 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.18 134.56 36.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.34 17.92 12.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.8 p -175.02 131.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.1 t -143.05 150.77 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.01 143.28 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 60' ' ' VAL . 93.0 t -136.99 138.14 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.01 127.83 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.625 HD21 HG23 ' A' ' 35' ' ' ILE . 39.9 mt -74.17 -29.98 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.4 p -57.47 -44.46 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.494 ' N ' HG13 ' A' ' 83' ' ' VAL . 82.5 mtt-85 -54.35 -32.15 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.77 -28.95 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -67.6 -54.73 17.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -52.54 -39.12 61.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.691 HD11 ' OE1' ' A' ' 65' ' ' GLN . 1.3 mt -89.8 -12.47 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 60.8 36.98 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -86.13 142.64 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -107.45 10.55 29.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -165.88 161.78 35.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.69 175.75 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 109' ' ' VAL . 23.4 p -144.25 163.45 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.759 HG21 ' CE3' ' A' ' 39' ' ' TRP . 18.1 t -125.33 126.09 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -117.19 136.34 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.445 HG22 HG13 ' A' ' 55' ' ' VAL . 2.9 m -74.73 110.89 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.8 mt -79.13 136.4 37.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 p -149.75 172.26 15.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.59 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -74.36 -48.84 25.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.05 31.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -74.94 163.65 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.6 p -110.81 164.06 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.8 m -43.31 161.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 120.81 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.613 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.4 p -55.16 177.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.61 109.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.6 p -48.97 104.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.548 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -81.09 98.66 8.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.77 112.78 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.4 t -66.8 136.68 94.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.75 144.92 55.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.28 37.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -74.33 -38.92 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 113' ' ' PRO . 65.9 mt -77.95 -35.15 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.25 -35.22 78.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.5 p -88.54 132.25 39.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 164.75 33.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.398 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 143.0 49.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 t -148.92 140.82 14.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.702 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.94 17.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.352 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -107.76 114.09 60.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.32 12.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.29 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.3 m -56.3 134.52 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -113.35 154.27 17.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 176.25 7.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.244 . . . . 0.0 112.304 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 94.2 p -112.63 132.46 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.8 m -104.35 -46.34 4.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -166.52 140.82 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -142.18 135.46 28.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.83 162.98 29.29 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -132.88 95.48 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -66.42 -43.76 84.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.65 -138.05 7.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 8' ' ' VAL . 1.3 p -73.79 123.72 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.13 155.8 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 11' ' ' SER . 74.8 t80 -158.32 167.7 29.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.426 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 7.4 m -147.88 122.22 9.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.608 ' O ' HG23 ' A' ' 12' ' ' THR . 9.7 t -72.91 104.54 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.178 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.5 mt -88.37 156.65 50.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.86 43.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.315 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -105.5 147.48 28.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.09 175.95 40.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.92 92.85 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.346 0.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 136.64 33.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 120.78 18.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.69 69.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 170.59 16.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.636 2.224 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -140.01 -177.41 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 55.37 37.09 28.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.653 HG21 ' OG ' ' A' ' 107' ' ' SER . 75.4 t -69.06 132.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -153.73 170.33 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG21 HG22 ' A' ' 112' ' ' VAL . 77.0 t -124.56 110.31 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -89.51 -75.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -86.4 143.3 19.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 85.2 t -35.64 -37.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -116.46 157.35 45.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.197 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' HB2' ' CD ' ' A' ' 120' ' ' PRO . 54.1 Cg_endo -69.73 3.1 2.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.376 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.7 2.96 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.04 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 81' ' ' GLU . 64.5 p -139.58 172.91 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.778 HG23 HD21 ' A' ' 82' ' ' LEU . 3.4 pt -134.61 168.63 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -116.36 95.36 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -78.07 101.32 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 m -94.9 144.05 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.638 ' CE3' HG21 ' A' ' 95' ' ' VAL . 16.5 p90 -151.56 -175.24 5.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -118.48 106.38 44.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 125.98 12.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.19 69.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.14 146.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 91.8 mt -120.01 130.95 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.49 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.8 p -37.59 158.19 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.512 0.672 . . . . 0.0 111.193 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.0 Cg_endo -69.79 15.89 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.2 p -127.4 -18.79 4.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 110.07 52.58 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 54' ' ' ASN . 13.6 mt -152.69 133.03 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -81.39 -73.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -115.23 30.87 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.698 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 109.56 -17.9 30.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.07 154.68 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.546 ' HA ' HD23 ' A' ' 49' ' ' LEU . 4.1 t-20 -84.95 85.69 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.12 111.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.4 p -104.26 -6.27 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -175.26 38.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.425 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -118.08 173.71 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.31 132.74 4.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.882 HG11 HG21 ' A' ' 80' ' ' VAL . 53.4 t -96.81 137.85 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 47.9 m-85 -136.44 156.62 48.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.462 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -122.01 -69.0 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.778 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.3 mmpt? -121.86 46.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.46 16.27 69.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -130.37 113.43 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.967 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 11.4 ttm180 -50.45 108.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 60' ' ' VAL . 16.3 m -87.09 -41.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -140.48 173.97 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.39 126.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.33 121.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 71' ' ' ILE . 23.3 mm -78.21 45.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.803 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.6 t80 -135.8 115.09 11.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -30.18 22.51 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.9 p -100.91 27.28 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -75.72 148.79 38.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -123.9 -6.16 7.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -164.28 142.5 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -142.66 162.17 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.95 144.44 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.882 HG21 HG11 ' A' ' 60' ' ' VAL . 90.0 t -140.02 139.92 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.3 mt-10 -74.37 126.05 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.778 HD21 HG23 ' A' ' 35' ' ' ILE . 40.7 mt -72.81 -31.24 64.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.5 p -56.67 -42.51 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 88' ' ' LEU . 25.3 mtp180 -57.93 -24.19 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 82' ' ' LEU . 10.8 mt -84.57 -24.37 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 86' ' ' ARG . 4.0 mmm180 -70.63 -57.69 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -49.91 -37.4 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.6 mt -92.64 -15.88 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 63.51 37.34 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.778 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.82 125.59 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.8 26.59 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.22 157.85 22.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -127.22 169.78 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 109' ' ' VAL . 26.8 p -144.55 160.28 41.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.638 HG21 ' CE3' ' A' ' 39' ' ' TRP . 33.0 t -121.19 132.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 28.7 mtp180 -122.62 130.07 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 m -71.76 103.36 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 20.3 mt -74.63 146.68 42.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 p -165.91 158.0 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.78 58.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -71.25 -29.4 65.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.61 171.12 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -78.33 164.98 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.9 p -110.29 -178.19 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -62.59 166.88 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.67 119.22 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 24' ' ' VAL . 95.5 p -55.0 177.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.22 107.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.1 p -48.14 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.555 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -84.98 98.67 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.17 113.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.642 HG13 ' HD2' ' A' ' 113' ' ' PRO . 93.3 t -67.79 138.47 93.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.642 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.79 145.43 56.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.519 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.2 Cg_endo -69.77 -23.98 30.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.97 -40.08 90.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.44 -30.89 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 114' ' ' PRO . 38.2 mt -65.11 -39.59 93.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.3 p -78.91 129.54 73.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 138.81 38.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.492 ' CD ' ' HB2' ' A' ' 32' ' ' PRO . 53.9 Cg_endo -69.73 -178.43 2.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 t -136.72 141.51 35.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 111.182 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.29 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -40.9 130.8 1.91 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 158.73 55.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.8 p -169.47 163.25 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -132.04 172.96 20.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 121.75 8.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.2 t -117.82 144.07 45.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.8 t -45.62 -52.44 10.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 121.431 0.462 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.68 87.18 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.343 0.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 137.03 34.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.04 121.02 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.55 68.89 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.633 2.222 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 174.89 8.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.386 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -148.74 177.25 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 25' ' ' THR . 0.6 OUTLIER 60.47 32.74 20.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.549 HG21 ' OG ' ' A' ' 107' ' ' SER . 30.1 t -62.72 139.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -159.88 160.26 33.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.601 HG13 ' HB ' ' A' ' 35' ' ' ILE . 73.1 t -116.84 108.55 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -86.27 -75.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.77 139.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.63 142.36 16.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.9 t -38.16 -26.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -122.22 157.01 59.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 111.081 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.56 16.51 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.42 10.85 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -142.69 170.74 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.633 HG23 HD21 ' A' ' 82' ' ' LEU . 4.9 pt -135.84 173.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.18 99.78 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.409 ' O ' ' CE3' ' A' ' 39' ' ' TRP . 7.3 t -80.2 96.66 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.38 140.06 29.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.448 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.6 p90 -150.49 176.57 10.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -115.12 107.88 49.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 130.93 20.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.5 42.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -45.42 137.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 50' ' ' SER . 83.0 mt -111.54 131.3 55.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 30.2 p -37.27 157.63 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.55 0.69 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.75 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 77.8 p -127.2 -12.52 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.719 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 103.04 60.24 0.72 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -156.95 135.83 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.828 0.346 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.646 ' HA ' HD23 ' A' ' 44' ' ' LEU . 43.6 t -82.59 -73.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -116.57 29.23 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.72 -10.47 27.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.77 162.45 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' OD1' HD21 ' A' ' 49' ' ' LEU . 3.7 m120 -90.32 97.11 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.97 117.55 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.1 p -103.14 -13.84 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.93 -169.54 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 97.8 m-85 -121.86 173.84 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.914 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.58 131.87 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 80' ' ' VAL . 9.9 t -97.07 136.08 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 111.116 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 80.3 m-85 -133.16 147.06 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 -74.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.757 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.0 mmpt? -118.61 40.3 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.16 9.32 60.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -123.63 113.48 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 15.7 ttm-85 -51.65 112.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 84' ' ' ARG . 15.9 m -94.63 -39.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.707 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -142.32 162.42 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.72 119.77 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 70' ' ' VAL . 10.5 p -102.48 122.7 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 71' ' ' ILE . 17.6 mm -79.64 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.863 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -132.88 115.98 14.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -27.37 26.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 15.0 p -103.0 24.66 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.23 134.02 36.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.15 6.66 16.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -172.3 136.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -140.37 155.02 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.79 143.42 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 68' ' ' ALA . 91.6 t -140.75 138.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -70.24 131.1 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.633 HD21 HG23 ' A' ' 35' ' ' ILE . 27.5 mt -77.79 -31.29 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -57.68 -37.4 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 88' ' ' LEU . 30.6 mtp85 -61.3 -26.62 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.3 mt -84.01 -26.06 29.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -65.17 -57.75 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -50.17 -38.12 38.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.4 mt -92.25 -12.73 31.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' LEU . 28.9 mt-10 58.34 36.54 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.757 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.6 128.93 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.95 25.82 7.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.23 152.61 10.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.86 167.54 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 109' ' ' VAL . 34.9 p -136.26 160.34 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.545 ' H ' ' HG ' ' A' ' 107' ' ' SER . 11.7 t -121.14 127.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -119.04 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.424 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.22 110.78 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.68 137.85 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.5 p -145.12 176.56 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.57 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -36.42 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.37 -131.33 2.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -132.1 169.3 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -113.79 172.32 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -54.98 170.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.71 123.77 31.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.549 ' OG ' HG21 ' A' ' 24' ' ' VAL . 98.0 p -62.25 -178.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.78 108.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -49.39 104.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.454 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -82.7 98.57 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 108.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.6 t -63.21 137.17 97.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.605 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.77 146.78 61.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.696 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.4 Cg_endo -69.78 -22.98 31.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.307 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.93 -35.34 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.418 HD12 ' HG2' ' A' ' 113' ' ' PRO . 84.7 mt -83.57 -33.59 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 82' ' ' LEU . 25.2 mt -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.455 0.475 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.5 Cg_endo -69.75 153.65 93.01 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.272 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 137.96 36.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.82 118.64 15.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 148.83 66.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 171.75 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -143.07 -176.61 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 55.81 35.45 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG21 ' OG ' ' A' ' 107' ' ' SER . 58.4 t -66.32 131.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.38 165.43 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.505 HG13 ' HB ' ' A' ' 35' ' ' ILE . 54.9 t -122.81 114.18 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -93.11 -75.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.85 135.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -87.36 143.32 18.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 66.4 t -35.58 -34.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -114.4 157.14 43.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.76 7.16 32.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 81' ' ' GLU . 71.5 p -138.49 171.7 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.671 HG23 HD21 ' A' ' 82' ' ' LEU . 4.0 pt -136.38 164.35 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -111.58 101.51 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 t -83.79 98.97 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -93.63 140.66 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.64 ' CE3' HG21 ' A' ' 95' ' ' VAL . 22.5 p90 -147.55 -177.63 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -118.01 107.02 44.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.16 17.14 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 140.4 42.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -46.59 138.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' A' ' 50' ' ' SER . 87.0 mt -112.7 132.82 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 26.6 p -37.22 157.7 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.611 0.72 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 14.77 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.704 2.27 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 45' ' ' THR . 70.4 p -127.31 -16.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.568 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.45 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -154.88 130.42 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.578 ' HA ' HD23 ' A' ' 44' ' ' LEU . 2.1 t -81.31 -67.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -120.45 28.68 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.94 27.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.45 154.71 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -84.37 103.04 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.9 116.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.8 p -99.69 -15.39 18.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.51 -165.03 36.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 90.2 m-85 -125.38 173.76 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.879 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.44 133.95 5.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.624 HG11 HG21 ' A' ' 80' ' ' VAL . 48.6 t -99.6 134.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 19.7 m-85 -131.76 143.64 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -108.77 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.747 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.4 mmpt? -119.53 38.86 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.71 7.67 64.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -122.39 114.04 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -47.96 108.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.566 HG12 ' HB3' ' A' ' 84' ' ' ARG . 3.1 m -92.49 -34.42 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -146.9 164.06 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -161.02 123.49 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 p -108.84 122.15 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 71' ' ' ILE . 22.9 mm -77.56 46.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.879 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -136.06 114.97 10.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -24.88 28.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.529 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.1 p -105.27 23.18 14.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.71 129.64 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -113.3 13.31 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 p -173.14 130.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.73 149.84 45.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.7 143.7 29.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.624 HG21 HG11 ' A' ' 60' ' ' VAL . 89.9 t -138.56 138.74 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.7 mt-10 -74.03 124.95 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.671 HD21 HG23 ' A' ' 35' ' ' ILE . 34.6 mt -71.35 -31.77 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.5 p -55.31 -40.77 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.566 ' HB3' HG12 ' A' ' 67' ' ' VAL . 35.2 mtp85 -58.46 -29.92 66.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 89' ' ' GLU . 11.1 mt -79.22 -26.33 42.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -67.25 -58.18 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.0 -41.04 59.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.8 mt -89.51 -15.61 32.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' LEU . 14.1 mt-10 62.61 37.38 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.747 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.78 125.4 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -98.43 26.24 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.01 156.53 18.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 m -128.05 171.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 109' ' ' VAL . 26.7 p -144.34 170.91 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.64 HG21 ' CE3' ' A' ' 39' ' ' TRP . 12.8 t -132.44 132.0 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.583 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 15.2 mtp180 -123.91 133.42 53.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.24 102.54 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.421 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 26.7 mt -76.0 138.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -151.27 169.21 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.16 -32.74 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -72.99 -44.98 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.52 -173.62 41.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -91.33 162.67 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.7 t -112.69 165.04 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m -46.78 163.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.64 124.16 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.568 ' OG ' HG21 ' A' ' 24' ' ' VAL . 72.8 p -59.25 178.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.69 111.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.9 p -53.76 104.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.49 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.51 98.23 9.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.44 112.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 113' ' ' PRO . 97.5 t -65.46 138.84 97.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.68 145.94 59.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.2 Cg_endo -69.76 -20.94 34.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -71.94 -37.3 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 71.7 mt -79.46 -33.74 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 114' ' ' PRO . 38.4 mt -64.0 -34.02 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.846 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 121.42 0.456 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.82 91.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.39 44.9 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.89 118.21 22.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 149.99 67.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.75 170.96 15.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -142.12 175.93 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' HD3' ' A' ' 40' ' ' ARG . 4.5 m-20 61.74 35.05 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.705 HG21 ' OG ' ' A' ' 107' ' ' SER . 83.8 t -68.3 128.68 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.77 170.24 18.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.555 HG21 HG22 ' A' ' 112' ' ' VAL . 75.3 t -123.63 111.96 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -90.9 -76.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.26 134.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.3 142.11 18.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLY . 86.7 t -37.5 -28.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 111.169 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.7 p -122.13 157.43 58.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.27 7.62 31.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 81' ' ' GLU . 44.6 p -141.75 169.43 17.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.818 HG23 HD21 ' A' ' 82' ' ' LEU . 3.5 pt -132.25 173.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -122.8 98.97 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.0 t -80.93 104.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -97.22 142.44 29.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.636 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.9 p90 -150.51 -177.68 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HD3' ' CB ' ' A' ' 23' ' ' ASP . 6.1 mpt_? -116.84 107.02 46.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 126.67 13.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.47 67.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.47 139.87 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.9 mt -112.65 131.73 55.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 36.5 p -37.64 157.87 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.79 15.71 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.46 ' H ' ' C ' ' A' ' 45' ' ' THR . 60.8 p -127.05 -17.11 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.758 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.22 56.58 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 48' ' ' GLY . 13.5 mt -155.99 136.75 13.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -86.65 -73.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -111.16 17.76 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.44 -19.47 8.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.87 163.69 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -90.9 96.48 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.86 114.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -110.49 4.44 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' LEU . . . 154.14 179.13 29.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -114.48 174.13 6.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.94 126.66 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 80' ' ' VAL . 39.5 t -92.38 137.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 40.3 m-85 -133.74 147.8 51.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -114.88 -67.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.3 mmpt? -124.85 44.79 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.83 12.87 70.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.512 ' NE2' HD21 ' A' ' 88' ' ' LEU . 34.7 mt-30 -129.12 112.99 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -48.56 111.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 84' ' ' ARG . 8.2 m -92.35 -32.85 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.586 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.83 165.73 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -160.66 126.32 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -109.13 121.5 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 71' ' ' ILE . 30.1 mm -77.7 45.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.817 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -136.25 114.57 10.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -26.67 27.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.371 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 p -104.62 27.84 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.817 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.29 145.67 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -119.74 -7.93 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -159.72 141.57 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -141.79 150.98 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 145.95 25.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.586 HG22 ' CB ' ' A' ' 68' ' ' ALA . 98.6 t -140.0 143.03 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -78.94 123.68 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.818 HD21 HG23 ' A' ' 35' ' ' ILE . 54.8 mt -68.03 -33.77 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.62 -37.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.1 mtp85 -61.54 -28.15 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.1 mt -82.0 -26.27 34.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -67.41 -56.94 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -50.18 -40.93 48.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.512 HD21 ' NE2' ' A' ' 65' ' ' GLN . 3.2 mt -91.05 -15.98 28.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' LEU . 53.7 mt-10 63.91 37.97 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -79.36 129.83 34.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -101.71 20.37 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.03 155.94 24.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.2 171.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.9 p -143.98 178.28 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.636 HG21 ' CE3' ' A' ' 39' ' ' TRP . 40.7 t -136.67 130.03 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.538 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 23.3 mtp180 -121.03 125.96 48.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 m -68.58 105.91 2.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.414 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 22.7 mt -78.83 150.41 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.2 p -158.5 179.53 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.49 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.3 mp0 -85.0 -43.24 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.59 -160.47 33.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.91 170.92 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 t -118.53 168.64 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -50.72 162.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.77 121.98 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.705 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.5 p -57.12 179.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.12 112.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -54.34 104.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.08 98.19 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.74 112.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.1 t -66.19 138.38 96.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.1 Cg_endo -69.78 145.26 56.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.681 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.78 -22.03 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.28 -30.77 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.44 -28.55 22.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 114' ' ' PRO . 25.2 mt -69.53 -39.06 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 114' ' ' PRO . 3.8 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.725 . . . . 0.0 111.167 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 53' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.443 0.469 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.67 85.02 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.33 0.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.63 33.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.89 118.56 8.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.91 69.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.13 15.04 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.69 -176.4 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 54.11 34.01 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.426 HG21 ' OG ' ' A' ' 107' ' ' SER . 55.1 t -67.34 127.47 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.41 168.54 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG13 ' HB ' ' A' ' 35' ' ' ILE . 77.4 t -123.42 113.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -93.55 -75.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.69 134.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -86.65 144.36 19.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -38.86 -33.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -115.16 156.85 44.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.99 2.44 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.41 HG22 ' HA ' ' A' ' 81' ' ' GLU . 64.9 p -137.97 169.5 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.79 HG23 HD21 ' A' ' 82' ' ' LEU . 10.3 pt -131.66 179.18 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -125.27 103.01 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 t -85.46 100.17 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -94.49 138.69 32.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.653 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.3 p90 -146.45 -175.14 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -118.13 105.6 46.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 125.79 12.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.09 44.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -45.73 147.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 50' ' ' SER . 92.0 mt -123.34 131.09 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 28.1 p -37.25 158.12 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 16.11 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 45' ' ' THR . 72.4 p -127.14 -18.65 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.57 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 110.37 58.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 48' ' ' GLY . 10.4 mt -153.34 142.69 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.559 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.7 t -94.67 -63.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -122.96 29.44 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.83 -12.87 38.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' GLY . . . -105.52 158.78 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.86 109.03 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -89.14 119.91 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -102.86 -17.24 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.83 -161.0 31.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.5 m-85 -126.66 173.13 9.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.85 129.27 3.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.832 ' HB ' ' HB3' ' A' ' 68' ' ' ALA . 87.7 t -94.08 137.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 64.5 m-85 -134.39 155.25 50.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -121.29 -67.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.9 mmpt? -124.42 44.6 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.55 15.22 66.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -130.62 113.52 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 8.6 ttm180 -48.65 111.03 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.8 m -96.61 -34.86 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.832 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . . . -141.11 166.99 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -166.51 122.66 1.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.74 122.68 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 71' ' ' ILE . 21.5 mm -77.44 46.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.867 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 4.6 t80 -138.12 114.68 9.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.59 29.7 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.394 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.2 p -105.55 24.44 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.867 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -82.59 130.16 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -113.64 15.81 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.9 p -171.49 130.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.7 160.55 38.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.61 23.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.613 HG21 HG11 ' A' ' 60' ' ' VAL . 98.9 t -138.69 137.68 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 34' ' ' THR . 9.2 mt-10 -76.09 119.52 20.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.79 HD21 HG23 ' A' ' 35' ' ' ILE . 33.3 mt -68.06 -30.09 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 84' ' ' ARG . 9.4 p -60.18 -42.0 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' N ' HG13 ' A' ' 83' ' ' VAL . 45.8 mtp85 -57.87 -28.79 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' GLU . 9.7 mt -78.18 -26.87 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -68.28 -56.71 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.22 -41.59 60.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.5 mt -90.44 -15.31 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 85' ' ' LEU . 32.4 mt-10 61.7 37.89 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.91 128.68 34.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -99.38 25.45 6.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 160.89 26.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.13 170.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.107 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p -141.18 171.83 13.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.653 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.4 t -135.43 125.9 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -115.79 138.94 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 m -79.94 90.04 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 103' ' ' GLU . 47.1 mt -61.31 139.07 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.4 p -142.98 171.43 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.04 -25.71 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -92.69 -42.78 9.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.19 135.35 1.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.951 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -51.95 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 p -120.03 -178.13 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.46 176.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 119.37 31.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.426 ' OG ' HG21 ' A' ' 24' ' ' VAL . 25.4 p -54.5 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.86 108.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.3 p -49.14 104.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.84 98.34 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.32 113.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 113' ' ' PRO . 98.3 t -66.6 138.92 95.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.71 145.17 56.63 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.606 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.73 -23.7 30.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -36.44 77.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.418 HD12 ' CG ' ' A' ' 113' ' ' PRO . 78.2 mt -79.65 -33.03 41.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 114' ' ' PRO . 21.0 mt -69.04 -37.45 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 114' ' ' PRO . 9.1 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.143 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.426 0.459 . . . . 0.0 112.525 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.405 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.3 Cg_endo -69.78 149.41 88.58 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.307 0.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.8 19.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.96 118.41 2.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 149.72 67.32 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 171.73 13.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -142.83 -177.3 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.68 30.96 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.736 HG21 ' OG ' ' A' ' 107' ' ' SER . 61.6 t -64.01 127.03 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 164.98 33.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG13 ' HB ' ' A' ' 35' ' ' ILE . 89.8 t -120.74 111.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -90.08 -75.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.42 135.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -85.29 143.06 20.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -38.89 -30.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.6 p -119.52 158.05 50.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.54 12.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.38 1.43 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 81' ' ' GLU . 44.3 p -135.78 170.78 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.701 HG23 HD21 ' A' ' 82' ' ' LEU . 4.6 pt -132.92 177.77 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.2 100.06 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 t -83.42 98.18 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -91.7 144.74 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CE3' HG21 ' A' ' 95' ' ' VAL . 18.2 p90 -152.13 -176.6 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 2.9 mmm180 -118.66 107.26 42.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 125.53 12.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 144.99 55.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.4 m -46.12 146.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.8 mt -121.46 132.46 54.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 29.7 p -37.51 157.93 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.79 12.02 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.9 p -126.99 -11.34 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.737 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 102.08 60.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 48' ' ' GLY . 18.2 mt -156.61 128.44 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 28.0 t -78.05 -75.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -113.54 30.35 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.7 27.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.21 169.61 9.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -97.94 95.1 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 97' ' ' THR . 46.9 t -69.38 113.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -109.98 6.64 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.88 -178.05 29.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.5 m-85 -119.16 173.4 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.913 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.12 137.74 7.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.483 HG11 HG21 ' A' ' 80' ' ' VAL . 17.4 t -102.91 140.81 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -134.91 151.77 51.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.81 -75.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.738 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.3 mmpt? -119.51 45.6 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.22 9.82 66.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.26 114.51 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -49.15 119.3 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.784 HG12 HH11 ' A' ' 84' ' ' ARG . 4.1 m -98.81 -30.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.705 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.98 170.92 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.04 127.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.2 p -113.93 122.3 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 71' ' ' ILE . 17.6 mm -79.01 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.869 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.5 t80 -133.44 114.42 13.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.84 29.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 20.0 p -104.75 22.58 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.869 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.22 133.83 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -114.65 11.49 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.1 p -173.43 134.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -138.92 152.79 48.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.51 145.39 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.705 HG22 ' CB ' ' A' ' 68' ' ' ALA . 95.6 t -141.77 141.95 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.614 ' HA ' HG22 ' A' ' 34' ' ' THR . 8.8 mt-10 -75.58 126.27 30.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.701 HD21 HG23 ' A' ' 35' ' ' ILE . 43.9 mt -72.52 -31.64 65.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.5 p -56.9 -41.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.784 HH11 HG12 ' A' ' 67' ' ' VAL . 8.5 mtp-105 -59.83 -21.65 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.86 -29.54 22.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -66.15 -59.06 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -45.98 -40.24 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.6 mt -88.93 -17.77 28.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 66.1 36.02 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.738 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.0 130.57 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.554 ' NZ ' HD13 ' A' ' 117' ' ' LEU . 5.1 mmpt? -102.1 21.16 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.57 156.13 22.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.17 172.07 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.1 p -138.78 176.4 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.496 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.94 127.16 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -118.04 135.52 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.414 HG22 HG13 ' A' ' 55' ' ' VAL . 2.8 m -75.35 104.07 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 23.5 mt -74.31 145.2 44.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.2 p -153.45 172.85 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.442 ' HB3' HE22 ' A' ' 101' ' ' GLN . . . -70.92 -31.02 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.442 HE22 ' HB3' ' A' ' 100' ' ' ALA . 2.5 mp0 -83.71 -44.16 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.87 151.84 7.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.17 -179.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.1 p -120.36 177.72 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -55.8 168.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 125.72 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.736 ' OG ' HG21 ' A' ' 24' ' ' VAL . 91.0 p -59.9 178.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.41 115.66 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -53.57 105.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.74 99.2 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.6 112.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 113' ' ' PRO . 89.8 t -65.32 138.63 97.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.623 0.725 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.74 145.94 58.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.669 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.79 -25.68 28.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.394 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -64.67 -37.61 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.527 HD12 ' HG2' ' A' ' 113' ' ' PRO . 77.0 mt -81.22 -33.2 33.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 114' ' ' PRO . 19.9 mt -63.47 -37.61 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.577 0.703 . . . . 0.0 111.151 179.832 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 121.432 0.462 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 156.83 92.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.34 0.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.84 43.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 120.99 39.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 148.37 65.3 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.2 17.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.51 174.94 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.36 35.32 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' OG ' ' A' ' 107' ' ' SER . 13.8 t -68.1 127.59 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.91 160.96 42.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG13 ' HB ' ' A' ' 35' ' ' ILE . 61.1 t -116.62 110.3 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -87.43 -75.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.37 135.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.19 145.25 19.03 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -43.45 -25.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 p -124.99 157.75 65.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.4 28.48 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.65 2.96 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 81' ' ' GLU . 67.1 p -141.26 163.25 33.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.771 HG23 HD21 ' A' ' 82' ' ' LEU . 9.0 pt -127.69 -176.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -130.12 99.16 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 t -83.99 105.19 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -97.7 141.88 30.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.429 ' CE3' HG21 ' A' ' 95' ' ' VAL . 23.4 p90 -147.72 -175.04 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -122.16 108.38 34.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.58 45.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -42.63 136.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 84.7 mt -110.39 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 40.5 p -36.93 156.91 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 13.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 45' ' ' THR . 37.9 p -129.14 -7.36 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.63 61.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.2 mt -154.55 129.82 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 7.6 t -102.16 102.62 13.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 69.61 25.04 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.34 -11.44 67.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.93 162.47 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -100.51 85.88 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.494 HG13 HG22 ' A' ' 97' ' ' THR . 38.7 t -66.88 120.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -114.91 6.5 15.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.93 -177.88 31.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.435 ' O ' HD11 ' A' ' 98' ' ' LEU . 96.8 m-85 -119.82 172.78 7.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.01 135.19 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 80' ' ' VAL . 18.8 t -97.83 139.66 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 96' ' ' ARG . 83.4 m-85 -133.44 148.62 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -113.37 -73.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.7 mmpt? -121.49 43.19 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.95 8.82 63.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -128.18 114.98 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.445 HH21 HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -46.42 121.6 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.612 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.9 m -103.06 -24.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -155.62 165.89 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -161.8 123.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.58 122.3 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 71' ' ' ILE . 28.8 mm -77.9 45.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.809 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -136.94 114.14 9.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 54.3 Cg_endo -69.67 -25.84 28.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.3 p -103.41 24.77 10.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.809 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -77.71 140.67 39.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -116.77 -2.18 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.1 m -164.82 141.73 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -145.3 143.61 30.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.12 141.85 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 60' ' ' VAL . 95.3 t -135.55 141.47 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.0 mt-10 -77.29 126.79 31.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.771 HD21 HG23 ' A' ' 35' ' ' ILE . 88.5 mt -72.68 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.68 -37.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.612 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.7 mtp85 -63.11 -19.92 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.5 mt -89.58 -26.36 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -67.36 -59.86 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -46.33 -42.48 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.4 mt -91.74 -10.26 40.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 11.9 mt-10 58.6 35.77 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.643 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -75.68 127.8 33.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.1 12.85 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.43 153.41 23.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.88 174.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 109' ' ' VAL . 49.2 p -142.73 175.74 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.429 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.1 t -137.23 127.67 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.585 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 16.8 mtp180 -118.67 135.34 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.494 HG22 HG13 ' A' ' 55' ' ' VAL . 3.0 m -74.95 99.85 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.445 HD13 HH21 ' A' ' 66' ' ' ARG . 19.8 mt -69.78 141.31 53.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 p -149.34 179.81 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.534 ' HB3' HE22 ' A' ' 101' ' ' GLN . . . -79.68 -12.09 59.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.534 HE22 ' HB3' ' A' ' 100' ' ' ALA . 4.9 mp0 -97.18 -34.32 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.21 19.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.72 154.12 28.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -99.94 175.43 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.83 162.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.88 125.77 30.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.2 p -59.36 -179.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.06 110.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.3 p -50.64 104.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.06 98.35 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.49 111.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 113' ' ' PRO . 94.6 t -63.01 138.48 97.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.5 Cg_endo -69.81 142.76 48.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.75 -15.62 37.22 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -74.25 -37.5 63.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.405 HD12 ' HG2' ' A' ' 113' ' ' PRO . 73.5 mt -81.06 -29.84 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 114' ' ' PRO . 25.1 mt -69.01 -38.0 78.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 114' ' ' PRO . 11.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 53' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.407 0.448 . . . . 0.0 112.526 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.94 93.32 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.375 -0.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.74 43.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.83 121.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.04 66.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.9 11.82 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -143.33 -178.39 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.78 28.92 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.614 HG21 ' OG ' ' A' ' 107' ' ' SER . 48.1 t -61.1 129.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -150.06 170.09 19.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.437 HG21 HG22 ' A' ' 112' ' ' VAL . 96.2 t -128.22 109.87 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -87.55 -76.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.53 143.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.443 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.93 142.16 15.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -38.24 -34.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -118.98 157.37 50.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.557 0.694 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.58 0.7 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 81' ' ' GLU . 47.1 p -141.41 168.36 19.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.155 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.664 HG23 HD21 ' A' ' 82' ' ' LEU . 6.5 pt -133.5 177.41 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -122.07 95.2 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.6 t -80.64 101.66 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.65 160.21 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.449 ' CE3' HG21 ' A' ' 95' ' ' VAL . 8.8 p90 -167.7 -178.61 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -120.55 110.12 35.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.78 15.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.89 38.81 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -41.75 141.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.0 mt -117.3 134.35 54.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 33.6 p -37.25 157.41 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.4 Cg_endo -69.67 12.12 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.42 ' H ' ' C ' ' A' ' 45' ' ' THR . 26.4 p -127.07 -13.59 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 98.67 63.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 48' ' ' GLY . 52.9 mt -157.36 127.01 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.47 ' HB2' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -100.79 100.21 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 71.94 25.11 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.72 -8.37 71.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . . . -96.81 155.0 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -94.14 86.57 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.586 HG13 HG22 ' A' ' 97' ' ' THR . 41.2 t -68.46 115.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.3 p -106.3 2.38 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 72' ' ' PHE . . . 155.64 -170.16 33.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.8 m-85 -120.58 173.24 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.999 0.428 . . . . 0.0 110.902 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.59 130.07 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.85 142.08 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 96' ' ' ARG . 51.6 m-85 -133.38 144.03 49.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -133.53 104.78 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.752 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.5 mmpt? 69.6 28.02 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.21 21.46 49.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -136.48 118.76 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -58.6 128.46 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.728 HG12 ' HB3' ' A' ' 84' ' ' ARG . 6.1 m -112.84 -28.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.615 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -146.52 168.85 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.68 123.3 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -110.79 121.76 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 71' ' ' ILE . 32.7 mm -77.89 45.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.79 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -135.63 112.02 10.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 53.3 Cg_endo -69.79 -22.86 31.35 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.512 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 51.8 p -105.43 23.41 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.79 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -75.14 145.66 41.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.15 -0.02 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 p -172.75 142.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -141.0 163.82 31.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.8 145.83 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.615 HG22 ' CB ' ' A' ' 68' ' ' ALA . 97.6 t -140.29 143.03 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 34' ' ' THR . 7.4 mt-10 -79.51 123.72 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 35' ' ' ILE . 92.6 mt -68.1 -33.27 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 2.6 p -53.44 -39.58 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HB3' HG12 ' A' ' 67' ' ' VAL . 34.6 mtt85 -61.71 -21.67 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.2 mt -87.35 -24.61 24.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -70.19 -50.92 35.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -54.01 -39.79 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 62' ' ' ALA . 4.7 mt -95.83 -11.92 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.0 mt-10 60.8 32.81 20.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.752 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -72.47 120.9 18.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -92.18 21.74 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.38 156.51 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.15 162.96 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.8 p -133.46 164.56 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.499 ' H ' ' HG ' ' A' ' 107' ' ' SER . 11.2 t -123.76 127.26 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 55.5 mtt180 -117.43 130.69 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.586 HG22 HG13 ' A' ' 55' ' ' VAL . 2.5 m -72.22 105.96 4.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 25.1 mt -76.19 139.5 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 p -150.27 178.11 9.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.27 -19.84 60.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -87.26 -39.99 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.0 166.16 16.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -71.33 157.26 38.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.6 p -105.33 177.29 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.8 m -54.17 162.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.52 118.94 23.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.614 ' OG ' HG21 ' A' ' 24' ' ' VAL . 97.2 p -54.67 176.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.97 105.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' A' ' 94' ' ' THR . 6.7 p -48.92 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.47 99.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.14 111.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 113' ' ' PRO . 90.5 t -65.4 138.84 97.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.71 144.85 55.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.719 ' O ' HG12 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.76 -19.96 35.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.53 -31.46 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.93 -34.87 17.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 114' ' ' PRO . 21.6 mt -61.85 -37.24 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.2 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.432 0.462 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.76 156.82 92.61 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.359 0.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 137.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 117.79 11.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 149.46 66.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.48 14.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -143.51 -178.52 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 55.98 37.52 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.653 HG21 ' OG ' ' A' ' 107' ' ' SER . 93.9 t -69.15 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.28 167.46 26.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 35' ' ' ILE . 75.5 t -124.83 114.46 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -94.27 -75.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.49 136.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.34 141.02 16.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 55.8 t -35.24 -31.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.6 p -115.2 157.04 44.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.53 21.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.68 7.02 30.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 81' ' ' GLU . 69.1 p -137.63 172.12 13.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.686 HG23 HD21 ' A' ' 82' ' ' LEU . 5.7 pt -136.81 171.19 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -118.05 100.93 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.86 99.41 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -94.46 142.51 27.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.717 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.8 p90 -149.78 -176.59 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -116.55 106.06 49.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 127.1 14.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 141.49 45.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -45.68 141.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 89.5 mt -116.53 132.28 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 30.7 p -37.47 157.84 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.586 0.708 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 13.44 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 45' ' ' THR . 80.7 p -128.05 -14.17 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.661 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 105.69 58.6 0.64 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.4 mt -155.72 130.8 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 18.7 t -83.54 -71.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -114.12 32.12 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.67 -16.2 48.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 101' ' ' GLN . . . -99.83 156.63 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.435 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.6 m120 -83.5 105.03 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -83.03 114.63 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -101.64 -13.68 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.86 -167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.475 ' CE1' HG23 ' A' ' 97' ' ' THR . 97.3 m-85 -123.74 174.46 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.33 135.76 6.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.666 HG11 HG21 ' A' ' 80' ' ' VAL . 63.4 t -100.14 135.95 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 33.4 m-85 -132.42 156.48 46.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -124.3 -69.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.743 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.8 mmpt? -123.02 44.58 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.07 63.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.515 ' NE2' HD21 ' A' ' 88' ' ' LEU . 49.1 mt-30 -132.68 113.72 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -50.35 107.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG2' HG12 ' A' ' 60' ' ' VAL . 4.0 m -85.98 -30.74 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.551 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -151.32 168.63 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -163.87 124.75 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.75 122.33 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 71' ' ' ILE . 23.0 mm -77.83 45.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.923 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.1 t80 -134.52 116.84 13.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -29.77 23.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.715 2.277 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.5 p -103.61 28.65 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.923 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -83.16 132.52 35.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -115.51 13.57 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.6 p -172.97 130.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 t -139.34 143.52 37.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.39 145.05 35.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.666 HG21 HG11 ' A' ' 60' ' ' VAL . 92.4 t -140.27 140.51 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -75.08 127.09 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.686 HD21 HG23 ' A' ' 35' ' ' ILE . 46.0 mt -72.79 -32.58 65.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.6 p -54.99 -41.15 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.505 ' HB3' HG12 ' A' ' 67' ' ' VAL . 40.4 mtp85 -58.03 -28.42 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.95 -22.73 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 3.5 mmm180 -72.74 -56.83 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.87 -39.86 27.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.515 HD21 ' NE2' ' A' ' 65' ' ' GLN . 4.0 mt -92.27 -18.08 23.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 66.07 37.56 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.743 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.53 128.41 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -99.12 22.7 10.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.75 157.92 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.1 m -130.67 175.16 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 109' ' ' VAL . 44.2 p -145.81 174.09 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.717 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.73 126.75 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.536 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 24.5 mtp180 -117.9 133.23 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 58' ' ' TYR . 2.7 m -74.23 103.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 21.5 mt -76.45 140.61 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 12.5 p -154.5 167.15 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.0 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.439 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 78.9 mm-40 -74.57 -47.66 31.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.64 159.11 12.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -72.48 164.0 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.4 p -114.54 171.08 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.42 172.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.6 124.75 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 24' ' ' VAL . 80.8 p -55.8 178.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.88 113.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -52.58 104.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -85.72 98.96 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.94 111.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 113' ' ' PRO . 88.4 t -66.35 136.9 95.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.79 145.61 57.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.25 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.787 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.74 -25.25 28.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -63.72 -37.34 86.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.582 HD12 ' HG2' ' A' ' 113' ' ' PRO . 58.9 mt -81.0 -34.79 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 114' ' ' PRO . 29.2 mt -64.37 -40.47 95.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 121.375 0.431 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.59 87.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.34 0.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.58 25.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.06 119.69 7.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.703 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 153.08 69.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 169.98 17.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.85 179.35 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.05 39.41 29.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.734 HG12 ' HB2' ' A' ' 110' ' ' ALA . 82.0 t -71.57 133.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.24 169.43 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.493 HG21 HG22 ' A' ' 112' ' ' VAL . 38.6 t -128.12 112.42 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.692 ' O ' HD11 ' A' ' 116' ' ' LEU . 34.3 mm-40 -90.96 -76.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -176.23 137.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -87.74 140.56 16.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.4 t -33.41 -34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.9 p -115.41 157.99 42.61 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' C ' HD12 ' A' ' 82' ' ' LEU . . . -108.09 -0.87 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.1 p -134.16 162.34 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.57 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.3 pt -127.49 167.65 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 10.5 ttt-85 -113.76 103.02 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 t -87.28 102.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.3 162.17 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CE3' HG21 ' A' ' 95' ' ' VAL . 6.6 p90 -172.79 177.3 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -116.59 111.2 41.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 127.21 14.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 142.51 48.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.1 t -47.85 143.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 88.1 mt -119.43 132.23 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 27.4 p -37.56 158.02 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.572 0.701 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.75 13.97 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 45' ' ' THR . 47.2 p -126.02 -15.42 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.752 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 106.09 56.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 48' ' ' GLY . 15.5 mt -156.19 132.87 10.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 5.3 t -83.43 -64.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -124.99 34.83 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.86 -17.15 42.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.61 165.93 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -97.4 93.43 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.73 112.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.1 p -106.52 7.5 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.66 179.52 23.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.429 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -112.87 172.0 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 110.881 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.13 126.86 2.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 67' ' ' VAL . 48.7 t -91.86 139.05 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 27.0 m-85 -128.43 153.65 46.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -147.08 105.9 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.733 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 5.7 mmpt? 68.03 34.56 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 27.49 56.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.786 ' NE2' HD21 ' A' ' 88' ' ' LEU . 3.8 mt-30 -143.94 120.21 10.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 17.7 ttp-105 -60.24 127.61 32.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 84' ' ' ARG . 12.5 m -104.85 -33.67 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.628 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -145.27 177.36 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -169.96 120.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.8 p -109.19 120.17 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.7 mm -77.29 45.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.748 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -135.44 114.09 11.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 53.9 Cg_endo -69.75 -27.45 26.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.431 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.7 p -101.7 24.66 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.748 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -72.95 148.37 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -123.16 -7.52 8.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -165.57 139.76 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -140.79 149.76 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.99 146.77 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.628 HG22 ' CB ' ' A' ' 68' ' ' ALA . 91.5 t -141.72 142.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.652 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -76.5 122.55 24.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.7 HD23 HD12 ' A' ' 85' ' ' LEU . 9.2 mt -68.15 -32.67 73.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 81' ' ' GLU . 5.9 p -52.09 -39.78 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HB3' HG12 ' A' ' 67' ' ' VAL . 42.5 mtp85 -61.97 -25.21 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.7 HD12 HD23 ' A' ' 82' ' ' LEU . 3.5 mt -83.59 -24.56 31.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -70.77 -55.47 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -50.54 -38.21 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.786 HD21 ' NE2' ' A' ' 65' ' ' GLN . 3.1 mt -95.3 -13.31 24.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.6 mt-10 60.45 38.02 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.733 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.19 122.08 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -91.37 25.23 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.55 160.18 24.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -130.03 167.89 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 109' ' ' VAL . 25.9 p -138.54 171.71 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.551 HG21 ' CE3' ' A' ' 39' ' ' TRP . 19.1 t -134.19 127.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.407 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 18.3 mtp180 -117.4 132.9 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.0 m -72.78 102.69 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.3 mt -73.28 142.76 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.0 p -149.46 -179.76 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.68 43.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -88.06 -42.51 12.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.88 147.93 5.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.1 177.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.1 p -115.71 -179.16 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.89 174.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.89 120.84 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.606 ' OG ' HG21 ' A' ' 24' ' ' VAL . 80.9 p -56.98 177.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.6 110.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.7 p -52.4 104.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.734 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -81.03 98.42 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.77 113.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 26' ' ' VAL . 94.5 t -66.62 133.87 94.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.564 ' HG2' HD12 ' A' ' 116' ' ' LEU . 53.8 Cg_endo -69.81 145.74 57.81 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.584 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.78 -21.8 32.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.71 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' ' 27' ' ' GLN . 87.3 mt -91.24 -33.74 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.475 HD23 HD22 ' A' ' 82' ' ' LEU . 21.7 mt -63.27 -40.73 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.582 0.706 . . . . 0.0 111.184 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.433 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 121.425 0.458 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.433 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.82 150.04 89.67 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.78 41.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.51 118.74 17.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 147.79 63.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.74 18.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -141.57 -176.29 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 54.5 36.85 26.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.746 HG21 ' OG ' ' A' ' 107' ' ' SER . 40.4 t -69.47 125.07 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.15 155.19 42.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 112' ' ' VAL . 69.8 t -110.78 108.28 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -86.03 -75.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 135.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.01 141.73 18.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.47 -24.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.927 0.394 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLY . 5.2 p -120.83 156.71 56.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.72 12.57 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.95 3.29 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -133.41 169.21 17.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.712 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.2 pt -134.68 168.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -117.95 100.89 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.88 100.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -93.67 140.99 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' HG21 ' A' ' 95' ' ' VAL . 22.4 p90 -148.08 -175.23 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -121.4 105.71 38.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.85 20.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.71 45.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.56 136.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' THR . 89.5 mt -109.9 131.06 55.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.7 p -37.54 158.03 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.7 15.89 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 45' ' ' THR . 81.6 p -127.26 -16.72 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.755 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.41 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 48' ' ' GLY . 14.6 mt -156.42 135.81 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.5 t -88.44 -71.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 17' ' ' PRO . 52.6 t-20 -112.66 21.77 15.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.13 -18.44 11.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.62 168.42 10.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -97.11 96.74 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -67.02 113.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -108.64 7.57 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.66 179.98 26.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -118.31 175.86 5.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.36 131.84 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.611 HG11 HG21 ' A' ' 80' ' ' VAL . 16.5 t -96.94 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CG ' ' NH1' ' A' ' 96' ' ' ARG . 26.9 m-85 -138.96 150.76 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -113.04 -71.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.755 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 6.9 mmpt? -119.25 46.76 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.35 12.39 73.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.667 HE21 HD21 ' A' ' 88' ' ' LEU . 13.0 mt-30 -128.88 113.48 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 15.6 ttp-105 -46.75 116.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -99.62 -29.31 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.67 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.36 165.17 33.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.7 124.22 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.1 p -110.17 122.36 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 71' ' ' ILE . 32.6 mm -78.71 44.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.86 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -135.28 114.34 11.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.27 29.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.2 p -104.15 23.01 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.86 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.81 134.96 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.65 7.78 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.4 p -170.46 133.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.04 152.87 49.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.31 27.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 68' ' ' ALA . 86.9 t -137.86 141.48 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.38 127.65 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.712 HD21 ' CG2' ' A' ' 35' ' ' ILE . 58.5 mt -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.56 -38.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 88' ' ' LEU . 84.7 mtt-85 -60.16 -28.04 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.38 -21.74 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -71.22 -56.32 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.1 -40.25 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.667 HD21 HE21 ' A' ' 65' ' ' GLN . 4.1 mt -90.15 -15.7 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 62.61 36.24 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.755 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.77 129.39 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.99 20.07 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.41 155.25 23.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -131.33 174.83 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 109' ' ' VAL . 45.1 p -144.68 175.67 10.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.611 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.2 t -133.88 125.79 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.577 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 32.0 mtt85 -113.79 139.27 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 m -80.53 108.99 14.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.12 139.22 34.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.3 p -152.86 170.19 20.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.51 -26.87 67.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.496 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.91 -155.53 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -109.44 169.81 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 p -120.55 166.58 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.2 m -45.15 160.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' HB3' ' NH2' ' A' ' 96' ' ' ARG . 0.2 OUTLIER -81.0 128.67 33.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.746 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.0 p -59.76 179.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.96 110.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -50.34 105.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.27 97.85 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.77 109.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 113' ' ' PRO . 85.6 t -63.76 137.44 97.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.618 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.8 Cg_endo -69.69 145.26 57.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.655 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.77 -23.86 30.27 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.59 -36.77 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -82.77 -29.19 29.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 114' ' ' PRO . 22.3 mt -68.94 -37.1 78.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 114' ' ' PRO . 7.6 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 121.435 0.464 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.31 93.27 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.348 0.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 118.81 5.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.2 66.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.734 2.29 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 172.06 13.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -144.14 -179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 60.41 33.4 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG21 ' OG ' ' A' ' 107' ' ' SER . 59.0 t -66.1 127.42 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.98 158.84 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.474 HG13 ' HB ' ' A' ' 35' ' ' ILE . 85.3 t -115.12 112.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -91.81 -75.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.87 134.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -84.53 145.69 22.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -40.44 -30.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -119.17 157.57 50.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.03 3.99 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 81' ' ' GLU . 63.5 p -137.45 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.735 HG23 HD21 ' A' ' 82' ' ' LEU . 5.2 pt -137.57 174.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -123.4 99.4 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -83.05 100.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -93.22 141.69 28.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.744 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.9 p90 -149.39 -175.44 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -121.3 106.2 38.49 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.05 18.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.34 54.07 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.711 2.274 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.62 141.26 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 94.6 mt -114.36 133.53 55.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 24.5 p -37.55 158.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.7 14.98 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 66.9 p -127.65 -20.26 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.755 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 112.57 55.48 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.5 mt -155.76 129.84 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.3 t -82.68 -71.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -114.65 27.76 9.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.75 25.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.45 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -92.85 94.53 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.87 124.07 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.5 p -118.08 4.66 12.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.59 -174.28 34.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -121.87 173.42 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.06 133.8 5.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.866 HG11 HG21 ' A' ' 80' ' ' VAL . 60.0 t -99.74 131.52 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -129.97 150.87 51.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -116.17 -67.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.773 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.0 mmpt? -124.93 44.6 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.44 13.39 68.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.52 ' NE2' HD22 ' A' ' 88' ' ' LEU . 4.2 mp0 -128.22 113.28 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -50.84 108.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 m -89.2 -38.84 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -144.12 165.95 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.32 123.03 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.97 122.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 71' ' ' ILE . 29.0 mm -78.31 45.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.917 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.9 t80 -133.51 115.54 13.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.71 0.767 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -28.83 24.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 p -104.11 28.5 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -83.26 133.32 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.67 11.0 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.808 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p -171.1 137.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 t -143.89 155.16 43.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.62 145.18 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.866 HG21 HG11 ' A' ' 60' ' ' VAL . 85.5 t -141.37 137.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.533 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.7 mt-10 -72.91 128.3 35.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 35' ' ' ILE . 51.8 mt -74.45 -31.0 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.7 p -56.21 -42.38 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 88' ' ' LEU . 47.3 mtp85 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 82' ' ' LEU . 9.5 mt -80.26 -27.07 38.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -68.2 -59.29 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -49.9 -40.19 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.3 mt -88.85 -17.92 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' LEU . 34.8 mt-10 64.48 38.04 7.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.773 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.5 126.67 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -98.44 26.37 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.15 158.53 22.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.34 171.64 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 109' ' ' VAL . 28.4 p -144.88 168.61 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.744 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.6 t -130.82 128.51 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -118.72 135.34 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 m -74.46 108.46 7.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 39.0 mt -82.06 139.66 34.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -150.79 175.86 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.34 67.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.68 -43.16 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.24 -153.59 23.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -110.48 173.68 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 p -122.45 170.19 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -47.97 164.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.91 122.55 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.47 ' OG ' HG21 ' A' ' 24' ' ' VAL . 35.8 p -56.7 178.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.19 108.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -50.11 104.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.444 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.58 98.32 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.4 113.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.657 HG13 ' HD2' ' A' ' 113' ' ' PRO . 84.3 t -65.82 138.62 96.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.657 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.8 145.61 57.46 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.1 Cg_endo -69.78 -22.47 31.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.5 pt-20 -70.97 -36.09 72.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 80.7 mt -80.0 -37.09 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 114' ' ' PRO . 22.4 mt -61.84 -33.76 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 114' ' ' PRO . 11.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.706 0.765 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 121.454 0.474 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 155.04 93.54 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.303 0.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 137.06 34.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.21 119.28 16.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.521 0.677 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.32 69.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 175.5 8.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -146.87 179.43 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 58.33 30.02 18.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.58 HG21 ' OG ' ' A' ' 107' ' ' SER . 47.5 t -63.06 127.64 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.33 166.27 28.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.557 HG13 ' HB ' ' A' ' 35' ' ' ILE . 87.4 t -120.28 112.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -91.73 -75.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.48 136.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.72 147.18 21.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -40.62 -25.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.414 . . . . 0.0 111.179 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.2 p -126.02 158.81 64.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.59 0.709 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.04 6.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.34 4.0 18.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 81' ' ' GLU . 35.9 p -138.25 173.13 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.821 HG23 HD21 ' A' ' 82' ' ' LEU . 9.6 pt -134.69 176.51 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -125.38 96.8 4.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.53 98.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 m -92.9 140.32 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.627 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.0 p90 -150.04 -177.08 5.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -118.51 107.8 42.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 128.72 16.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.91 49.13 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.52 144.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 50' ' ' SER . 87.6 mt -119.26 130.4 55.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 36.0 p -37.61 157.68 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.76 14.11 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.449 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.7 p -128.03 -8.0 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.696 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 97.14 61.55 0.94 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 48' ' ' GLY . 24.0 mt -158.0 126.66 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.512 ' HA ' HD23 ' A' ' 44' ' ' LEU . 43.4 t -76.06 -75.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -113.84 30.12 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 -14.15 33.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.07 156.98 17.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.1 m-20 -85.09 98.19 10.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.2 t -76.26 120.94 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.72 -12.87 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.54 -166.68 39.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -122.85 173.98 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.93 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.2 129.63 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.437 HG12 ' CG2' ' A' ' 67' ' ' VAL . 48.2 t -94.33 140.48 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -131.27 156.07 46.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.535 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -148.77 105.0 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.698 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.4 mmpt? 68.62 31.74 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.9 26.61 48.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' A' ' 88' ' ' LEU . 8.5 mt-30 -142.5 117.68 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 19.0 ttp-105 -58.9 127.95 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.467 HG12 ' HB3' ' A' ' 84' ' ' ARG . 7.2 m -105.95 -24.46 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.515 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -159.04 173.35 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -165.56 122.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -107.18 123.15 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 71' ' ' ILE . 32.5 mm -79.8 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.862 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 t80 -132.67 115.12 14.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -27.98 25.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.527 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 76.0 p -102.93 26.01 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.862 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.39 136.72 36.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -116.82 8.32 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.3 p -169.25 136.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -140.34 146.24 38.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.32 144.55 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 68' ' ' ALA . 98.5 t -142.68 141.45 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' HG22 ' A' ' 34' ' ' THR . 6.1 mt-10 -75.11 126.64 31.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.821 HD21 HG23 ' A' ' 35' ' ' ILE . 50.9 mt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.491 ' HA ' ' CG ' ' A' ' 86' ' ' ARG . 5.2 p -53.25 -43.55 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.469 ' N ' HG13 ' A' ' 83' ' ' VAL . 50.9 mtp85 -54.62 -37.51 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.5 mt -71.87 -13.41 61.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.879 ' CZ ' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -83.35 -54.24 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -51.4 -28.9 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 62' ' ' ALA . 3.1 mt -105.46 -13.02 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 63.45 36.78 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.698 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -77.83 125.98 30.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -97.0 23.52 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.6 161.11 28.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 m -130.59 166.06 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.9 p -137.0 168.81 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.627 HG21 ' CE3' ' A' ' 39' ' ' TRP . 10.8 t -133.39 123.33 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -115.51 133.27 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -72.74 112.37 8.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 138.61 32.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.3 p -148.37 166.12 29.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.16 -30.39 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -77.53 -45.15 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.97 -152.76 20.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -112.37 170.05 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 105' ' ' VAL . 3.3 t -116.19 174.68 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.413 ' N ' ' OG ' ' A' ' 104' ' ' SER . 32.5 m -54.58 163.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.51 120.62 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.58 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.5 p -57.81 175.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.44 113.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -54.44 104.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -79.54 98.02 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.13 111.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 113' ' ' PRO . 93.9 t -67.97 138.44 92.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.73 144.11 53.13 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.457 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.76 -17.62 37.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.326 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.86 -37.53 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.81 -30.88 45.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.879 HD22 ' CZ ' ' A' ' 86' ' ' ARG . 46.2 mt -66.19 -40.97 90.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 114' ' ' PRO . 7.1 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 121.439 0.466 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.414 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.3 Cg_endo -69.72 151.68 91.54 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.334 0.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.75 36.16 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.9 117.15 8.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 149.58 67.59 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 171.33 14.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -142.9 -177.12 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 54.24 35.72 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 ' OG ' ' A' ' 107' ' ' SER . 63.3 t -68.19 129.14 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.71 169.68 19.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG13 ' HB ' ' A' ' 35' ' ' ILE . 76.2 t -123.24 110.04 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -88.33 -75.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.25 138.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.463 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -90.54 142.44 16.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -38.98 -29.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 29' ' ' GLY . 6.3 p -119.07 156.62 52.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -3.4 11.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.15 -5.11 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 81' ' ' GLU . 66.2 p -131.22 167.92 18.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.637 HG23 HD21 ' A' ' 82' ' ' LEU . 7.5 pt -131.93 179.43 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -125.64 104.59 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.72 102.45 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -95.0 139.05 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.502 ' CE3' HG21 ' A' ' 95' ' ' VAL . 21.4 p90 -147.13 -178.61 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -117.21 105.04 49.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.23 17.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 138.72 38.54 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.76 134.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.2 mt -107.08 135.69 48.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 23.6 p -42.21 158.5 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.75 13.16 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.8 p -127.53 -11.69 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.718 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.19 62.11 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 48' ' ' GLY . 18.1 mt -157.36 128.45 6.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 31.4 t -79.73 -69.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -118.83 32.73 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.49 -11.89 47.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.556 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB1' ' OE1' ' A' ' 101' ' ' GLN . . . -103.39 155.0 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' HB2' ' A' ' 99' ' ' SER . 4.0 m120 -82.46 91.51 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.3 119.98 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.45 -13.62 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.45 -164.26 36.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 89.4 m-85 -124.89 173.9 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.55 129.23 3.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG12 ' CG2' ' A' ' 67' ' ' VAL . 47.7 t -94.13 143.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -139.17 149.72 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -118.32 -73.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.748 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.0 mmpt? -118.98 46.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 14.25 70.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -131.88 113.3 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 39.3 ttp180 -47.88 114.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.773 HG12 HH11 ' A' ' 84' ' ' ARG . 3.4 m -93.99 -31.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.29 165.75 33.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 10.2 pt-20 -162.69 124.37 2.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -110.38 123.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 71' ' ' ILE . 14.0 mm -77.84 46.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.871 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 t80 -135.63 114.7 11.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.31 26.64 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.9 p -103.2 25.15 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.26 137.9 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.01 11.23 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.1 p -172.19 129.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.15 153.54 50.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 144.28 27.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.44 142.76 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.556 ' HA ' HG22 ' A' ' 34' ' ' THR . 3.9 mt-10 -80.59 124.81 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.637 HD21 HG23 ' A' ' 35' ' ' ILE . 82.4 mt -71.53 -31.18 66.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.3 p -56.76 -41.25 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.773 HH11 HG12 ' A' ' 67' ' ' VAL . 7.5 mtp-105 -59.55 -24.32 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 82' ' ' LEU . 6.8 mt -83.4 -26.48 30.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -67.61 -57.64 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -49.29 -38.65 28.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.5 mt -92.2 -18.16 23.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' LEU . 30.1 mt-10 65.39 38.07 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.748 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.75 126.82 32.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -98.16 18.81 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.73 158.05 30.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.7 170.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.6 p -143.04 173.56 11.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.502 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.2 t -136.1 131.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -123.32 131.57 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.2 m -73.12 111.0 7.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.06 141.15 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 97.8 p -151.06 179.3 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.78 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.555 ' OE1' ' HB1' ' A' ' 53' ' ' ALA . 17.3 mp0 -73.93 -47.77 35.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.78 -136.59 4.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -122.31 170.04 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 t -118.31 171.59 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -52.28 163.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.59 122.96 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.435 ' OG ' HG21 ' A' ' 24' ' ' VAL . 21.2 p -57.43 -178.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.09 112.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.068 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -54.2 105.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.69 98.14 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.54 111.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 113' ' ' PRO . 94.1 t -65.32 138.03 96.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.3 Cg_endo -69.74 145.12 56.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.434 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.4 Cg_endo -69.77 -19.04 36.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -74.15 -35.5 64.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.6 mt -80.57 -33.67 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 114' ' ' PRO . 27.3 mt -65.13 -30.77 71.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.147 179.803 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 121.393 0.441 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.82 148.56 87.11 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.342 0.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.86 43.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.05 119.77 24.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.24 66.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.84 13.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -144.28 178.14 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 62.68 25.68 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.607 HG21 ' OG ' ' A' ' 107' ' ' SER . 44.0 t -58.29 127.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 165.39 31.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 116' ' ' LEU . 85.4 t -121.29 113.71 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.07 -75.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.93 138.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.6 141.07 16.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLY . 65.3 t -37.89 -29.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.5 p -119.91 158.19 50.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.564 0.697 . . . . 0.0 111.167 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.53 16.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.9 8.13 26.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.524 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.8 p -140.66 171.76 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.771 ' CG2' HD21 ' A' ' 82' ' ' LEU . 7.0 pt -135.58 179.3 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -128.12 100.63 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.36 99.07 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -91.87 145.38 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.1 p90 -152.06 -175.12 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -120.97 104.72 41.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.8 15.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.1 69.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.2 136.62 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 50' ' ' SER . 81.8 mt -110.12 131.62 54.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.4 p -37.44 157.65 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.547 0.689 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 14.21 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.389 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.449 ' H ' ' C ' ' A' ' 45' ' ' THR . 64.0 p -127.06 -11.39 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.49 59.27 0.79 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 48' ' ' GLY . 14.9 mt -156.5 135.19 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.441 ' HB2' HG21 ' A' ' 55' ' ' VAL . 10.8 t -85.46 -72.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -114.38 20.36 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.15 -11.37 11.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.97 161.58 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -87.56 94.68 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 73' ' ' PRO . 57.9 t -68.15 111.51 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.5 p -104.73 -5.32 21.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.6 -174.34 38.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.9 m-85 -117.66 174.55 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.85 132.76 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 80' ' ' VAL . 28.7 t -100.14 138.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 90.4 m-85 -137.07 154.43 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -121.17 -70.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.777 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.6 mmpt? -122.06 46.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.74 9.37 71.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -129.52 113.61 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 30.8 ttp180 -50.76 112.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.613 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.3 m -87.43 -26.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.578 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -158.13 176.37 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -169.27 131.88 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.18 123.18 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 71' ' ' ILE . 21.8 mm -79.05 45.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.801 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.5 t80 -135.43 113.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HB3' HG12 ' A' ' 55' ' ' VAL . 53.6 Cg_endo -69.84 -23.95 29.88 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.0 p -104.81 24.11 12.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.801 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -77.5 145.72 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.72 -1.42 10.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.3 m -168.18 138.51 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 t -139.41 143.04 37.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.07 143.75 39.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.65 HG21 HG11 ' A' ' 60' ' ' VAL . 87.4 t -139.53 140.85 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.524 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.1 mt-10 -75.13 130.01 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.771 HD21 ' CG2' ' A' ' 35' ' ' ILE . 60.6 mt -75.98 -28.78 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.35 -37.78 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.613 ' HB3' HG12 ' A' ' 67' ' ' VAL . 40.7 mtp85 -62.3 -21.07 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.2 mt -88.98 -26.05 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -67.1 -54.5 20.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.64 -36.98 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.6 mt -94.1 -14.29 25.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' LEU . 39.4 mt-10 62.33 37.12 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.777 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.16 133.45 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -105.57 15.02 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.69 153.65 23.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.59 168.55 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 109' ' ' VAL . 21.7 p -137.78 168.43 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.47 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.8 t -131.88 119.22 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -112.14 132.44 54.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 m -70.4 112.38 6.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.8 mt -84.15 145.66 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.1 p -157.17 168.25 27.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.91 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.1 mp0 -72.75 -44.35 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.66 -153.37 22.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -109.98 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -120.35 175.23 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.6 m -55.4 162.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.73 122.55 27.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.607 ' OG ' HG21 ' A' ' 24' ' ' VAL . 85.9 p -58.8 175.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 103.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -45.05 104.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.48 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -80.69 98.47 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.1 112.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' HD2' ' A' ' 113' ' ' PRO . 87.7 t -63.84 136.52 96.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.8 Cg_endo -69.76 144.81 55.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.48 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.77 -15.06 36.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -77.02 -35.89 56.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.456 HD12 ' CG ' ' A' ' 113' ' ' PRO . 85.8 mt -76.11 -35.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 114' ' ' PRO . 8.2 mt -70.56 -27.53 64.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.855 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 121.47 0.484 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.29 91.36 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.318 0.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 142.11 47.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 118.67 32.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.444 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 54.0 Cg_endo -69.74 147.55 63.23 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -142.91 -175.07 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.19 34.92 21.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' OG ' ' A' ' 107' ' ' SER . 43.4 t -66.55 134.71 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -153.65 169.44 23.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 35' ' ' ILE . 87.4 t -126.71 111.92 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.7 -75.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.84 138.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -89.47 140.17 15.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 62.1 t -35.06 -31.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -115.75 157.18 45.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.43 16.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.264 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.97 5.72 24.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.2 p -135.99 171.5 14.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.623 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.7 pt -137.2 169.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -117.38 100.94 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.7 t -83.35 99.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -92.77 141.06 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.481 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 23.4 p90 -147.92 -178.9 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -117.11 107.46 45.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.7 13.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.94 36.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -40.34 142.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 96.2 mt -117.21 134.93 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.484 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 25.9 p -37.91 158.02 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.578 0.704 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.78 12.13 0.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 45' ' ' THR . 42.5 p -126.79 -15.32 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.3 61.31 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.0 mt -154.34 131.7 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.577 ' HB2' HG21 ' A' ' 55' ' ' VAL . 2.6 t -103.77 98.44 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 71.52 24.99 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 97.37 -10.09 65.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.05 155.01 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.405 ' C ' ' HB2' ' A' ' 99' ' ' SER . 16.5 t-20 -94.18 85.95 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' A' ' 50' ' ' SER . 48.9 t -66.09 114.37 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.6 p -112.65 3.0 16.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.43 178.93 32.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' HG23 ' A' ' 97' ' ' THR . 96.6 m-85 -117.89 173.67 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.945 0.403 . . . . 0.0 110.958 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.87 137.2 6.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG11 HG21 ' A' ' 80' ' ' VAL . 17.1 t -101.2 140.16 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -133.79 141.83 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -110.65 -72.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.919 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 23.4 mmmt -119.74 46.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.14 16.95 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.407 ' NE2' HD21 ' A' ' 88' ' ' LEU . 76.3 mt-30 -134.5 112.13 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' CZ ' ' OE1' ' A' ' 69' ' ' GLU . 35.1 ttp180 -48.05 119.86 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 84' ' ' ARG . 14.1 m -101.38 -35.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.648 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -144.56 165.28 28.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE1' ' CZ ' ' A' ' 66' ' ' ARG . 6.2 pt-20 -160.78 126.04 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.8 p -111.91 121.0 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.082 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 71' ' ' ILE . 23.9 mm -78.3 44.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.872 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -133.02 115.27 14.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.87 28.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.544 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 13.2 p -104.15 23.83 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.872 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.32 135.42 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -119.45 10.48 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.0 p -172.58 130.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -137.61 156.11 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.92 145.88 25.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.648 HG22 ' CB ' ' A' ' 68' ' ' ALA . 91.4 t -143.13 139.39 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.8 127.94 34.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.623 HD21 ' CG2' ' A' ' 35' ' ' ILE . 47.1 mt -74.61 -31.63 62.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.95 -38.85 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 67' ' ' VAL . 52.7 mtt-85 -60.01 -29.17 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.9 mt -79.83 -21.72 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -71.11 -55.5 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.77 -39.59 58.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD21 ' NE2' ' A' ' 65' ' ' GLN . 4.4 mt -90.87 -17.6 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.0 mt-10 64.68 36.1 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.919 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -73.99 134.02 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -103.91 14.97 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.32 156.11 24.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.0 m -127.82 167.28 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 109' ' ' VAL . 31.1 p -137.99 174.99 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.444 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.6 t -135.34 122.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -113.48 133.4 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 58' ' ' TYR . 2.4 m -73.54 110.8 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -84.81 144.29 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.405 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 95.9 p -155.81 -179.34 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -72.97 -50.67 21.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.97 -144.82 8.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -115.35 161.42 18.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.6 p -111.76 171.12 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 20' ' ' PRO . 34.1 m -47.4 164.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.75 124.92 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.8 p -58.6 176.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.72 109.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.9 p -51.97 104.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.76 98.27 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.16 113.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 113' ' ' PRO . 59.2 t -66.5 137.28 95.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.72 145.95 58.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.393 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.62 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.4 Cg_endo -69.82 -25.57 28.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.7 pt-20 -66.57 -31.54 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 66.5 mt -87.17 -32.42 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 114' ' ' PRO . 18.7 mt -67.94 -40.08 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 114' ' ' PRO . 9.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 111.107 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 121.436 0.464 . . . . 0.0 112.48 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.81 154.75 93.5 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.329 0.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 131.65 21.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.0 117.85 4.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.96 66.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.6 14.16 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -143.1 -178.72 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.55 35.11 25.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 110' ' ' ALA . 67.9 t -67.43 128.72 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.09 168.27 22.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 ' HB ' ' A' ' 35' ' ' ILE . 91.2 t -121.9 113.94 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -94.07 -75.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 136.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.07 141.12 16.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.9 t -36.15 -30.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' GLY . 4.5 p -117.75 156.92 49.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.62 8.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.78 6.67 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 81' ' ' GLU . 57.8 p -137.16 171.17 14.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.651 HG23 HD21 ' A' ' 82' ' ' LEU . 5.1 pt -135.19 169.0 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -117.92 102.44 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.8 t -82.98 100.33 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 m -93.29 142.59 27.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.2 p90 -151.49 -176.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -120.79 106.17 39.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 142.08 47.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.89 137.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 90.9 mt -112.02 131.32 55.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.8 p -37.35 157.99 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 15.27 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 45' ' ' THR . 40.7 p -127.26 -16.33 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.547 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.01 56.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 54' ' ' ASN . 14.2 mt -154.77 134.05 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 12.9 t -84.1 -72.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.817 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -114.86 34.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.65 -18.23 44.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.04 154.77 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.613 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -82.45 104.03 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 73' ' ' PRO . 35.4 t -75.47 113.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -108.64 6.8 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.39 -173.83 29.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.2 m-85 -120.94 173.78 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.872 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.08 131.32 4.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 HG21 ' A' ' 80' ' ' VAL . 18.0 t -98.97 141.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -137.12 148.51 46.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.42 -75.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.765 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.0 mmpt? -118.65 50.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.85 15.11 76.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.18 112.84 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -48.62 115.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.623 HG12 HH11 ' A' ' 84' ' ' ARG . 14.1 m -95.45 -37.87 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -143.63 164.82 29.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -161.37 121.98 2.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.47 123.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 71' ' ' ILE . 30.3 mm -78.45 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.884 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.6 t80 -134.11 114.23 12.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HB3' HG12 ' A' ' 55' ' ' VAL . 54.0 Cg_endo -69.77 -27.9 25.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.3 p -103.87 27.35 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.884 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.68 144.37 32.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -123.11 5.4 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.6 p -169.84 134.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -139.43 156.98 46.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.83 145.17 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.715 HG22 ' CB ' ' A' ' 68' ' ' ALA . 60.6 t -140.92 140.07 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.516 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.5 mt-10 -74.63 126.79 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 35' ' ' ILE . 30.4 mt -73.01 -31.33 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.64 -38.49 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.623 HH11 HG12 ' A' ' 67' ' ' VAL . 6.3 mtp-105 -62.47 -21.15 65.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 82' ' ' LEU . 10.8 mt -88.36 -27.23 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -66.53 -57.46 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.81 -38.22 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.1 mt -91.74 -15.26 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.3 mm-40 61.37 38.57 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.765 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -79.97 131.47 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -103.38 25.36 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.9 151.54 10.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.23 171.06 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 109' ' ' VAL . 30.3 p -143.62 171.66 13.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.582 HG21 ' CE3' ' A' ' 39' ' ' TRP . 13.1 t -133.16 132.04 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -122.67 135.07 54.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.9 m -74.03 108.4 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 44.8 mt -77.75 145.42 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.9 p -162.53 161.39 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.22 -31.48 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 12.6 mp0 -75.02 -44.63 46.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.06 170.63 25.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -78.0 173.9 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.3 p -123.02 167.87 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.8 m -46.16 163.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.89 122.48 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.519 ' OG ' HG21 ' A' ' 24' ' ' VAL . 55.4 p -57.03 177.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.4 114.24 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.0 p -53.97 105.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -82.07 98.13 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.39 109.54 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 113' ' ' PRO . 62.0 t -64.71 136.89 96.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.75 144.6 54.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.618 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.79 -26.09 27.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.03 -36.62 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.2 mt -82.39 -25.86 33.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 114' ' ' PRO . 31.8 mt -69.87 -39.75 76.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 111.182 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 121.412 0.451 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.1 Cg_endo -69.76 154.47 93.28 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.317 0.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 135.73 31.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.38 120.04 19.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.93 65.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 173.09 11.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.1 178.63 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.07 35.34 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.673 HG21 ' OG ' ' A' ' 107' ' ' SER . 30.8 t -70.87 128.93 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 165.94 30.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.623 HG21 HG22 ' A' ' 112' ' ' VAL . 58.5 t -120.36 111.4 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' HD11 ' A' ' 116' ' ' LEU . 34.7 mm-40 -89.75 -75.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.78 140.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.99 142.05 15.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.0 t -34.9 -32.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.1 p -115.82 157.13 45.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.557 0.694 . . . . 0.0 111.098 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.16 6.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.405 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.97 4.18 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 81' ' ' GLU . 70.0 p -133.38 164.34 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.769 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.1 pt -129.8 166.56 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -116.42 108.69 16.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 t -89.71 98.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.9 m -92.96 137.08 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.6 p90 -147.86 -178.29 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -118.47 106.35 44.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.19 17.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.28 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.6 63.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.0 t -48.89 144.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 50' ' ' SER . 81.7 mt -120.81 129.64 53.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 37.7 p -37.1 157.61 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.544 0.687 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.81 16.91 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -128.46 -14.42 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 105.34 57.86 0.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 54' ' ' ASN . 10.1 mt -152.47 141.08 20.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.601 ' HA ' HD23 ' A' ' 44' ' ' LEU . 22.7 t -88.59 -74.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -114.91 32.68 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.25 -10.97 43.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 101' ' ' GLN . . . -105.49 155.45 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.1 m-20 -81.01 103.73 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.24 118.2 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.5 p -102.7 -15.66 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.21 -165.45 38.9 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.413 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 m-85 -122.28 174.56 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.955 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.09 132.14 3.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.441 HG12 ' CG2' ' A' ' 67' ' ' VAL . 52.1 t -96.92 139.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -131.35 153.25 49.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.58 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -147.42 109.4 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.793 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.2 mmpt? 66.95 29.32 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.7 26.62 49.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -140.75 118.78 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -58.4 128.4 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.494 HG12 ' HB3' ' A' ' 84' ' ' ARG . 9.5 m -107.02 -29.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.525 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -154.9 177.99 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -170.43 120.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -105.52 122.24 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 71' ' ' ILE . 34.3 mm -78.35 45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.879 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -133.78 115.71 13.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -26.28 27.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 18.0 p -104.76 25.31 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -81.43 135.21 35.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -120.11 15.64 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.7 p -172.23 132.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -141.76 147.01 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.23 142.99 29.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.525 HG22 ' HB3' ' A' ' 68' ' ' ALA . 93.2 t -140.71 142.79 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HB3' HG12 ' A' ' 83' ' ' VAL . 6.0 mt-10 -76.57 121.66 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.769 HD21 ' CG2' ' A' ' 35' ' ' ILE . 10.3 mt -67.15 -33.38 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 81' ' ' GLU . 5.6 p -51.11 -39.61 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.494 ' HB3' HG12 ' A' ' 67' ' ' VAL . 51.6 mtp85 -61.32 -25.94 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.661 HD12 HD23 ' A' ' 82' ' ' LEU . 4.6 mt -82.1 -24.48 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -71.12 -55.66 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -51.93 -40.55 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 62' ' ' ALA . 3.5 mt -91.27 -13.07 33.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 60.08 36.73 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -76.43 122.24 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -92.01 26.31 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.39 161.01 25.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.02 166.44 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 109' ' ' VAL . 21.8 p -139.88 157.82 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.72 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.2 t -120.61 126.61 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -115.69 130.28 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -71.74 107.96 4.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 24.1 mt -78.98 138.48 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 p -155.19 167.48 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.01 -36.06 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.416 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 1.6 mp0 -70.38 -47.15 62.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.56 163.01 14.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -67.45 172.04 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.9 t -118.88 171.28 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.7 m -53.34 163.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 119.2 22.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.673 ' OG ' HG21 ' A' ' 24' ' ' VAL . 93.8 p -56.13 177.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.53 102.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -43.9 102.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.413 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -78.24 98.39 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.68 112.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 113' ' ' PRO . 92.3 t -68.25 138.49 91.92 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.615 0.721 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.74 144.92 55.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.579 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.74 -14.87 36.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.362 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -74.9 -37.47 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 27' ' ' GLN . 73.9 mt -82.43 -26.81 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 114' ' ' PRO . 35.2 mt -67.4 -37.19 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.841 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 121.385 0.436 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.73 151.05 91.02 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.312 -0.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 140.98 44.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.31 118.91 24.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.15 69.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 172.02 13.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -142.22 -178.82 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.67 37.78 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' A' ' 110' ' ' ALA . 86.7 t -67.33 132.78 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -150.91 170.26 19.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 25' ' ' THR . 96.1 t -128.18 112.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.88 -75.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.0 140.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.99 140.15 15.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 94.1 t -35.76 -30.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.1 p -120.75 157.76 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.36 3.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.74 6.42 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.8 p -141.17 168.58 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 82' ' ' LEU . 4.2 pt -132.93 168.45 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -116.53 96.54 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 t -81.71 100.5 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.21 160.7 16.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.442 ' CE3' HG21 ' A' ' 95' ' ' VAL . 11.6 p90 -169.0 179.01 4.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 6.0 mmm180 -114.97 106.93 50.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 127.52 14.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.29 50.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.1 m -47.33 149.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 92.0 mt -124.42 131.85 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 24.9 p -38.13 158.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.73 13.35 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.441 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -126.84 -12.02 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.732 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.96 61.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.7 mt -156.78 131.54 8.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 32.5 t -83.15 -75.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -110.56 26.96 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.83 -13.04 29.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.47 163.47 12.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -90.38 91.32 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.39 118.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -106.35 -10.13 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.03 -173.91 40.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -117.48 172.68 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.92 130.8 4.02 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.652 HG11 HG21 ' A' ' 80' ' ' VAL . 40.0 t -94.09 139.84 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -136.64 155.85 49.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -122.95 -69.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.9 mmpt? -122.86 46.67 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.81 12.15 72.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -130.4 112.71 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -51.48 114.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 84' ' ' ARG . 3.6 m -93.82 -25.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.837 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -154.63 164.18 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.39 125.02 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.63 120.93 60.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 71' ' ' ILE . 15.9 mm -77.82 45.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.814 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -135.67 115.19 11.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -26.15 27.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.54 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 p -104.71 27.08 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.814 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.52 141.59 38.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -116.51 -4.97 11.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -164.8 137.52 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -138.72 146.9 42.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.36 146.5 28.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.837 HG22 ' CB ' ' A' ' 68' ' ' ALA . 99.2 t -140.45 143.87 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.6 mt-10 -76.45 129.54 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 35' ' ' ILE . 33.2 mt -75.65 -32.13 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 3.9 p -55.52 -41.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.523 ' HB3' HG12 ' A' ' 67' ' ' VAL . 33.2 mtp85 -60.68 -23.55 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 82' ' ' LEU . 13.2 mt -85.24 -23.04 28.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -71.57 -53.07 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -52.3 -34.33 46.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 84' ' ' ARG . 2.7 mt -96.52 -15.73 21.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 62.83 38.26 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.74 134.74 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -103.95 11.84 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.0 159.33 31.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.2 m -131.1 164.53 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 109' ' ' VAL . 22.4 p -138.14 170.44 16.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.442 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.6 t -131.99 130.89 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -121.79 132.85 54.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.3 m -75.6 109.35 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 103' ' ' GLU . 17.7 mt -82.58 150.3 26.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.436 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 69.1 p -164.93 179.36 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.54 -34.95 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 -52.0 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.08 -175.12 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 98' ' ' LEU . 17.5 mt-10 -86.17 160.36 19.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.7 p -109.26 168.62 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.6 m -49.04 164.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.63 120.61 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.517 ' OG ' HG21 ' A' ' 24' ' ' VAL . 58.8 p -56.25 -179.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.38 112.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.8 p -52.79 105.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.05 99.14 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.56 111.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 113' ' ' PRO . 88.6 t -65.69 136.12 95.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.83 144.19 52.87 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.4 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -75.56 -32.93 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 113' ' ' PRO . 90.8 mt -82.54 -28.3 31.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 114' ' ' PRO . 27.6 mt -72.09 -36.47 69.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.828 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 121.438 0.466 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.4 Cg_endo -69.75 147.79 85.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.32 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 133.99 26.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.31 119.53 9.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.41 69.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.53 12.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -144.98 -177.67 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 57.47 29.66 17.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG21 ' OG ' ' A' ' 107' ' ' SER . 62.1 t -62.89 128.6 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -146.66 170.14 17.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.473 HG13 ' HB ' ' A' ' 35' ' ' ILE . 55.8 t -127.17 111.74 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -91.43 -75.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.98 143.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.81 143.84 16.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' GLY . 61.4 t -36.58 -34.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.4 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.7 p -114.8 156.98 44.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 0.08 6.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.42 3.52 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -138.96 169.76 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.625 HG23 HD21 ' A' ' 82' ' ' LEU . 4.2 pt -134.39 174.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -119.75 107.46 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 t -89.88 99.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 m -94.77 142.53 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.759 ' CE3' HG21 ' A' ' 95' ' ' VAL . 18.2 p90 -149.34 -175.53 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.8 mmm-85 -120.12 106.91 40.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.26 17.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.58 40.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -45.39 142.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 50' ' ' SER . 85.0 mt -117.37 130.91 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.478 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.9 p -37.48 157.82 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.691 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.83 13.6 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.626 2.217 . . . . 0.0 112.351 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.442 ' H ' ' C ' ' A' ' 45' ' ' THR . 43.2 p -127.21 -10.39 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 100.67 59.97 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 48' ' ' GLY . 20.8 mt -156.85 125.29 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.602 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.7 t -76.21 -70.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -117.5 32.42 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.08 -12.14 40.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.07 11.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.335 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.17 111.53 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 97' ' ' THR . 49.0 t -87.83 118.71 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -101.52 -15.49 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.84 41.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -121.47 174.57 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.76 140.02 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 68' ' ' ALA . 90.2 t -106.29 140.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 4.7 m-85 -139.36 151.91 46.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.13 -75.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 4.4 mmpt? -114.13 37.73 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.12 8.95 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.839 ' NE2' HD11 ' A' ' 88' ' ' LEU . 4.3 pt20 -121.68 135.68 54.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 16.8 ttm180 -73.58 98.81 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 68' ' ' ALA . 30.1 m -79.67 -42.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . . . -129.93 170.99 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -168.81 122.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.2 p -110.77 123.23 66.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 71' ' ' ILE . 29.2 mm -78.34 44.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.898 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -133.76 114.69 13.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -24.95 29.48 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.4 p -104.99 21.78 16.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.898 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.18 134.56 36.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.34 17.92 12.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.8 p -175.02 131.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.1 t -143.05 150.77 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.01 143.28 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 60' ' ' VAL . 93.0 t -136.99 138.14 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.01 127.83 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.625 HD21 HG23 ' A' ' 35' ' ' ILE . 39.9 mt -74.17 -29.98 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.4 p -57.47 -44.46 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.494 ' N ' HG13 ' A' ' 83' ' ' VAL . 82.5 mtt-85 -54.35 -32.15 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.77 -28.95 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -67.6 -54.73 17.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -52.54 -39.12 61.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.839 HD11 ' NE2' ' A' ' 65' ' ' GLN . 1.3 mt -89.8 -12.47 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 60.8 36.98 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -86.13 142.64 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -107.45 10.55 29.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -165.88 161.78 35.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.69 175.75 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 109' ' ' VAL . 23.4 p -144.25 163.45 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.759 HG21 ' CE3' ' A' ' 39' ' ' TRP . 18.1 t -125.33 126.09 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -117.19 136.34 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.445 HG22 HG13 ' A' ' 55' ' ' VAL . 2.9 m -74.73 110.89 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.8 mt -79.13 136.4 37.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 p -149.75 172.26 15.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.59 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.36 -48.84 25.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.05 31.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -74.94 163.65 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.6 p -110.81 164.06 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.8 m -43.31 161.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 120.81 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.613 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.4 p -55.16 177.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.61 109.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.6 p -48.97 104.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.548 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -81.09 98.66 8.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.77 112.78 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.4 t -66.8 136.68 94.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.75 144.92 55.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.28 37.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -74.33 -38.92 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 113' ' ' PRO . 65.9 mt -77.95 -35.15 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.25 -35.22 78.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 111.166 179.804 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 121.438 0.466 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.92 92.85 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.346 0.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 136.64 33.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 120.78 18.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.69 69.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 170.59 16.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.636 2.224 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -140.01 -177.41 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 55.37 37.09 28.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.653 HG21 ' OG ' ' A' ' 107' ' ' SER . 75.4 t -69.06 132.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -153.73 170.33 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG21 HG22 ' A' ' 112' ' ' VAL . 77.0 t -124.56 110.31 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -89.51 -75.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -86.4 143.3 19.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 85.2 t -35.64 -37.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -116.46 157.35 45.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.197 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 3.1 2.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.376 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.7 2.96 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.04 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 81' ' ' GLU . 64.5 p -139.58 172.91 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.778 HG23 HD21 ' A' ' 82' ' ' LEU . 3.4 pt -134.61 168.63 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -116.36 95.36 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -78.07 101.32 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 m -94.9 144.05 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.638 ' CE3' HG21 ' A' ' 95' ' ' VAL . 16.5 p90 -151.56 -175.24 5.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -118.48 106.38 44.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 125.98 12.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.19 69.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.14 146.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 91.8 mt -120.01 130.95 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.49 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.8 p -37.59 158.19 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.512 0.672 . . . . 0.0 111.193 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.0 Cg_endo -69.79 15.89 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.2 p -127.4 -18.79 4.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 110.07 52.58 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 54' ' ' ASN . 13.6 mt -152.69 133.03 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -81.39 -73.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -115.23 30.87 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.56 -17.9 30.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.07 154.68 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.546 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.95 85.69 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.12 111.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.4 p -104.26 -6.27 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -175.26 38.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.425 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -118.08 173.71 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.31 132.74 4.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.882 HG11 HG21 ' A' ' 80' ' ' VAL . 53.4 t -96.81 137.85 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 47.9 m-85 -136.44 156.62 48.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.462 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -122.01 -69.0 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.778 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.3 mmpt? -121.86 46.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.46 16.27 69.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' NE2' HD21 ' A' ' 88' ' ' LEU . 31.0 mt-30 -130.37 113.43 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 11.4 ttm180 -50.45 108.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 60' ' ' VAL . 16.3 m -87.09 -41.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -140.48 173.97 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.39 126.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.33 121.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 71' ' ' ILE . 23.3 mm -78.21 45.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.803 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.6 t80 -135.8 115.09 11.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -30.18 22.51 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.9 p -100.91 27.28 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -75.72 148.79 38.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -123.9 -6.16 7.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -164.28 142.5 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -142.66 162.17 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.95 144.44 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.882 HG21 HG11 ' A' ' 60' ' ' VAL . 90.0 t -140.02 139.92 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.3 mt-10 -74.37 126.05 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.778 HD21 HG23 ' A' ' 35' ' ' ILE . 40.7 mt -72.81 -31.24 64.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.5 p -56.67 -42.51 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 88' ' ' LEU . 25.3 mtp180 -57.93 -24.19 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 82' ' ' LEU . 10.8 mt -84.57 -24.37 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 4.0 mmm180 -70.63 -57.69 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -49.91 -37.4 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.6 mt -92.64 -15.88 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 63.51 37.34 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.778 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.82 125.59 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.8 26.59 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.22 157.85 22.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -127.22 169.78 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 109' ' ' VAL . 26.8 p -144.55 160.28 41.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.638 HG21 ' CE3' ' A' ' 39' ' ' TRP . 33.0 t -121.19 132.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 28.7 mtp180 -122.62 130.07 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 m -71.76 103.36 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 20.3 mt -74.63 146.68 42.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 p -165.91 158.0 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.78 58.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.25 -29.4 65.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.61 171.12 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -78.33 164.98 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.9 p -110.29 -178.19 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -62.59 166.88 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.67 119.22 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 24' ' ' VAL . 95.5 p -55.0 177.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.22 107.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.1 p -48.14 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.555 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -84.98 98.67 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.17 113.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.642 HG13 ' HD2' ' A' ' 113' ' ' PRO . 93.3 t -67.79 138.47 93.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.642 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.79 145.43 56.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.519 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.2 Cg_endo -69.77 -23.98 30.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.97 -40.08 90.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.44 -30.89 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 114' ' ' PRO . 38.2 mt -65.11 -39.59 93.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 111.104 179.86 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -68.97 83.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t 59.32 42.16 18.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.33 -77.7 1.35 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.539 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -175.05 158.89 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -151.92 173.79 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.26 -50.51 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.4 t -39.58 110.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.161 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -43.65 116.25 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -160.3 129.86 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.1 m -119.31 100.29 7.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.6 p -121.26 103.13 8.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 mp -80.1 149.7 70.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.704 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.02 31.86 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.294 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.77 148.78 44.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.16 178.3 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 148.68 87.18 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.743 -1.774 . . . . 0.0 112.343 0.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 137.03 34.49 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.04 121.02 18.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 151.55 68.89 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.633 2.222 . . . . 0.0 112.367 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 174.89 8.84 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.386 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -148.74 177.25 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 25' ' ' THR . 0.6 OUTLIER 60.47 32.74 20.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.549 HG21 ' OG ' ' A' ' 107' ' ' SER . 30.1 t -62.72 139.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -159.88 160.26 33.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.601 HG13 ' HB ' ' A' ' 35' ' ' ILE . 73.1 t -116.84 108.55 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -86.27 -75.73 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.77 139.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.63 142.36 16.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.9 t -38.16 -26.85 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.157 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -122.22 157.01 59.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.652 0.739 . . . . 0.0 111.081 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.56 16.51 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.42 10.85 27.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -142.69 170.74 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.633 HG23 HD21 ' A' ' 82' ' ' LEU . 4.9 pt -135.84 173.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -123.18 99.78 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.409 ' O ' ' CE3' ' A' ' 39' ' ' TRP . 7.3 t -80.2 96.66 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.38 140.06 29.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.448 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.6 p90 -150.49 176.57 10.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -115.12 107.88 49.08 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 130.93 20.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 140.5 42.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.313 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.0 t -45.42 137.69 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 50' ' ' SER . 83.0 mt -111.54 131.3 55.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 30.2 p -37.27 157.63 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.55 0.69 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.75 15.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 77.8 p -127.2 -12.52 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.719 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 103.04 60.24 0.72 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.719 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -156.95 135.83 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.828 0.346 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.646 ' HA ' HD23 ' A' ' 44' ' ' LEU . 43.6 t -82.59 -73.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -116.57 29.23 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.72 -10.47 27.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.77 162.45 13.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.757 0.313 . . . . 0.0 111.105 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' OD1' HD21 ' A' ' 49' ' ' LEU . 3.7 m120 -90.32 97.11 10.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.97 117.55 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 81.1 p -103.14 -13.84 16.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.93 -169.54 41.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 97.8 m-85 -121.86 173.84 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.941 0.4 . . . . 0.0 110.914 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.58 131.87 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG11 HG21 ' A' ' 80' ' ' VAL . 9.9 t -97.07 136.08 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 111.116 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 80.3 m-85 -133.16 147.06 52.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 -74.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.757 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.0 mmpt? -118.61 40.3 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.16 9.32 60.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -123.63 113.48 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 15.7 ttm-85 -51.65 112.27 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 84' ' ' ARG . 15.9 m -94.63 -39.11 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.707 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -142.32 162.42 35.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -158.72 119.77 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 70' ' ' VAL . 10.5 p -102.48 122.7 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 71' ' ' ILE . 17.6 mm -79.64 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.863 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -132.88 115.98 14.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -27.37 26.32 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.65 2.234 . . . . 0.0 112.323 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 15.0 p -103.0 24.66 10.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.23 134.02 36.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -114.15 6.66 16.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.6 p -172.3 136.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 t -140.37 155.02 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.79 143.42 26.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 68' ' ' ALA . 91.6 t -140.75 138.34 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -70.24 131.1 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.633 HD21 HG23 ' A' ' 35' ' ' ILE . 27.5 mt -77.79 -31.29 51.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 p -57.68 -37.4 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' O ' HD12 ' A' ' 88' ' ' LEU . 30.6 mtp85 -61.3 -26.62 67.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.3 mt -84.01 -26.06 29.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -65.17 -57.75 7.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -50.17 -38.12 38.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.4 mt -92.25 -12.73 31.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 85' ' ' LEU . 28.9 mt-10 58.34 36.54 25.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.757 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.6 128.93 34.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.073 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -100.95 25.82 7.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.23 152.61 10.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -127.86 167.54 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 109' ' ' VAL . 34.9 p -136.26 160.34 39.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.545 ' H ' ' HG ' ' A' ' 107' ' ' SER . 11.7 t -121.14 127.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.195 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -119.04 133.71 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.424 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.22 110.78 7.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.68 137.85 32.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.5 p -145.12 176.56 9.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.36 -22.57 66.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.55 -36.42 24.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 164.37 -131.33 2.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -132.1 169.3 16.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -113.79 172.32 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -54.98 170.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.71 123.77 31.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.549 ' OG ' HG21 ' A' ' 24' ' ' VAL . 98.0 p -62.25 -178.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.78 108.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -49.39 104.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.454 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -82.7 98.57 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 108.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.605 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.6 t -63.21 137.17 97.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.638 0.732 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.605 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.77 146.78 61.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.696 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.4 Cg_endo -69.78 -22.98 31.22 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.307 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.93 -35.34 76.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.418 HD12 ' HG2' ' A' ' 113' ' ' PRO . 84.7 mt -83.57 -33.59 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 82' ' ' LEU . 25.2 mt -64.94 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.0 p -82.03 135.11 48.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.644 0.735 . . . . 0.0 111.152 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.3 Cg_endo -69.74 160.86 48.15 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.39 46.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.9 t -159.91 137.56 7.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.616 0.722 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 154.72 67.29 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.648 2.232 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -61.58 117.38 27.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 166.45 27.57 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 67.7 p -161.1 161.23 31.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -138.97 -159.09 7.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 108.52 2.09 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.686 2.258 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 67.5 m -80.69 111.45 17.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.4 p -103.2 -48.34 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -165.81 140.51 4.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.917 0.389 . . . . 0.0 110.833 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -161.37 171.52 18.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.84 91.18 0.28 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -89.22 167.98 12.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 t 64.51 42.86 4.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.58 -60.05 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.4 t -133.29 133.55 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -143.76 135.35 26.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 11' ' ' SER . 75.3 t80 -80.27 160.24 25.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.416 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 16.4 m -71.86 99.57 2.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.8 p -88.51 102.16 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.126 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.4 mt -84.5 155.79 62.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.63 0.729 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 122.96 9.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.353 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.76 141.74 51.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 66.92 172.8 5.44 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.501 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.5 Cg_endo -69.75 153.65 93.01 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.272 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 137.96 36.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.82 118.64 15.84 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.571 0.701 . . . . 0.0 111.138 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 148.83 66.41 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.372 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 171.75 13.95 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -143.07 -176.61 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 55.81 35.45 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG21 ' OG ' ' A' ' 107' ' ' SER . 58.4 t -66.32 131.62 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.38 165.43 33.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.505 HG13 ' HB ' ' A' ' 35' ' ' ILE . 54.9 t -122.81 114.18 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.152 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -93.11 -75.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.85 135.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.089 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -87.36 143.32 18.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 66.4 t -35.58 -34.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -114.4 157.14 43.35 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.33 18.35 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.76 7.16 32.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 81' ' ' GLU . 71.5 p -138.49 171.7 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.671 HG23 HD21 ' A' ' 82' ' ' LEU . 4.0 pt -136.38 164.35 31.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.184 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -111.58 101.51 9.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 t -83.79 98.97 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -93.63 140.66 29.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.812 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.64 ' CE3' HG21 ' A' ' 95' ' ' VAL . 22.5 p90 -147.55 -177.63 5.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -118.01 107.02 44.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.16 17.14 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 140.4 42.33 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -46.59 138.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.578 HD23 ' HA ' ' A' ' 50' ' ' SER . 87.0 mt -112.7 132.82 55.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 26.6 p -37.22 157.7 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.611 0.72 . . . . 0.0 111.123 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 14.77 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.704 2.27 . . . . 0.0 112.313 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 45' ' ' THR . 70.4 p -127.31 -16.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.568 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.45 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.514 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.6 mt -154.88 130.42 9.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.578 ' HA ' HD23 ' A' ' 44' ' ' LEU . 2.1 t -81.31 -67.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -120.45 28.68 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.94 27.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.45 154.71 18.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -84.37 103.04 13.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 64.0 t -78.9 116.18 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.8 p -99.69 -15.39 18.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.11 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.51 -165.03 36.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.461 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 90.2 m-85 -125.38 173.76 8.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 0.0 110.879 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.44 133.95 5.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.624 HG11 HG21 ' A' ' 80' ' ' VAL . 48.6 t -99.6 134.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.583 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 19.7 m-85 -131.76 143.64 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -108.77 -70.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.747 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.4 mmpt? -119.53 38.86 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.71 7.67 64.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -122.39 114.04 20.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.2 ttm105 -47.96 108.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.566 HG12 ' HB3' ' A' ' 84' ' ' ARG . 3.1 m -92.49 -34.42 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -146.9 164.06 34.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -161.02 123.49 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.7 p -108.84 122.15 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 71' ' ' ILE . 22.9 mm -77.56 46.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.879 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -136.06 114.97 10.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -24.88 28.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.529 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.1 p -105.27 23.18 14.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.71 129.64 34.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -113.3 13.31 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 p -173.14 130.67 0.48 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.73 149.84 45.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.7 143.7 29.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.624 HG21 HG11 ' A' ' 60' ' ' VAL . 89.9 t -138.56 138.74 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.7 mt-10 -74.03 124.95 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.671 HD21 HG23 ' A' ' 35' ' ' ILE . 34.6 mt -71.35 -31.77 67.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.5 p -55.31 -40.77 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.566 ' HB3' HG12 ' A' ' 67' ' ' VAL . 35.2 mtp85 -58.46 -29.92 66.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 89' ' ' GLU . 11.1 mt -79.22 -26.33 42.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -67.25 -58.18 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.0 -41.04 59.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.411 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.8 mt -89.51 -15.61 32.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 85' ' ' LEU . 14.1 mt-10 62.61 37.38 13.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.747 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.78 125.4 29.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -98.43 26.24 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.01 156.53 18.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.9 m -128.05 171.65 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 109' ' ' VAL . 26.7 p -144.34 170.91 15.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.64 HG21 ' CE3' ' A' ' 39' ' ' TRP . 12.8 t -132.44 132.0 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.583 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 15.2 mtp180 -123.91 133.42 53.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 m -73.24 102.54 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 26.7 mt -76.0 138.66 41.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.0 p -151.27 169.21 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.16 -32.74 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.8 mp0 -72.99 -44.98 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.52 -173.62 41.24 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -91.33 162.67 14.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.7 t -112.69 165.04 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.5 m -46.78 163.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.64 124.16 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.568 ' OG ' HG21 ' A' ' 24' ' ' VAL . 72.8 p -59.25 178.09 0.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.69 111.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.9 p -53.76 104.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.49 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.51 98.23 9.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.135 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.44 112.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 113' ' ' PRO . 97.5 t -65.46 138.84 97.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.68 145.94 59.13 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.2 Cg_endo -69.76 -20.94 34.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -71.94 -37.3 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 71.7 mt -79.46 -33.74 42.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 114' ' ' PRO . 38.4 mt -64.0 -34.02 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 119' ' ' PRO . 7.6 p -84.18 137.54 39.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.619 0.723 . . . . 0.0 111.107 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.9 Cg_endo -69.76 144.55 54.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 152.82 69.23 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 m -152.04 132.65 7.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 115.04 3.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -59.0 138.44 87.65 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.62 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.2 p -62.23 149.64 41.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -130.3 -96.21 0.75 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.55 11.2 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.6 p -60.94 -56.7 17.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.2 p -76.18 137.71 40.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -148.34 157.81 43.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.866 0.365 . . . . 0.0 110.91 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 m -90.78 149.14 22.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.35 -54.15 0.75 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.0 p -77.82 143.88 37.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 110.881 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -82.23 133.89 35.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.89 -87.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.0 143.74 20.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.788 0.328 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -94.79 171.64 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -133.39 134.31 43.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.3 m -73.67 96.54 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 12' ' ' THR . 14.0 t -100.65 41.19 1.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 mt -43.76 140.34 2.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.69 28.64 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.734 2.29 . . . . 0.0 112.357 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.06 124.66 7.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.11 177.23 43.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.82 91.63 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.349 0.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 141.39 44.9 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.89 118.21 22.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 149.99 67.54 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HG3' ' CG1' ' A' ' 95' ' ' VAL . 54.0 Cg_endo -69.75 170.96 15.34 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -142.12 175.93 9.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' HD3' ' A' ' 40' ' ' ARG . 4.5 m-20 61.74 35.05 17.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.705 HG21 ' OG ' ' A' ' 107' ' ' SER . 83.8 t -68.3 128.68 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.77 170.24 18.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.555 HG21 HG22 ' A' ' 112' ' ' VAL . 75.3 t -123.63 111.96 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -90.9 -76.05 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.26 134.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.3 142.11 18.67 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.432 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' GLY . 86.7 t -37.5 -28.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.929 0.395 . . . . 0.0 111.169 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.7 p -122.13 157.43 58.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 111.123 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.27 7.62 31.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.096 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 81' ' ' GLU . 44.6 p -141.75 169.43 17.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.818 HG23 HD21 ' A' ' 82' ' ' LEU . 3.5 pt -132.25 173.65 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -122.8 98.97 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.0 t -80.93 104.21 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 m -97.22 142.44 29.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.636 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.9 p90 -150.51 -177.68 6.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.481 ' HD3' ' CB ' ' A' ' 23' ' ' ASP . 6.1 mpt_? -116.84 107.02 46.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 126.67 13.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 154.47 67.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -60.47 139.87 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.9 mt -112.65 131.73 55.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.475 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 36.5 p -37.64 157.87 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.475 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.79 15.71 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.46 ' H ' ' C ' ' A' ' 45' ' ' THR . 60.8 p -127.05 -17.11 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.758 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.22 56.58 0.61 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 48' ' ' GLY . 13.5 mt -155.99 136.75 13.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.835 0.35 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.463 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -86.65 -73.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -111.16 17.76 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.44 -19.47 8.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.87 163.69 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -90.9 96.48 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.86 114.71 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -110.49 4.44 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 98' ' ' LEU . . . 154.14 179.13 29.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -114.48 174.13 6.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.94 126.66 2.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 80' ' ' VAL . 39.5 t -92.38 137.02 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 40.3 m-85 -133.74 147.8 51.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -114.88 -67.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.624 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.3 mmpt? -124.85 44.79 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.83 12.87 70.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.512 ' NE2' HD21 ' A' ' 88' ' ' LEU . 34.7 mt-30 -129.12 112.99 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.783 0.325 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -48.56 111.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 84' ' ' ARG . 8.2 m -92.35 -32.85 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.83 165.73 32.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -160.66 126.32 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -109.13 121.5 62.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 71' ' ' ILE . 30.1 mm -77.7 45.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.817 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -136.25 114.57 10.69 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.646 0.736 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -26.67 27.55 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.637 2.225 . . . . 0.0 112.371 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.1 p -104.62 27.84 7.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.817 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.29 145.67 35.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -119.74 -7.93 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -159.72 141.57 13.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -141.79 150.98 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.151 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.42 145.95 25.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.586 HG22 ' CB ' ' A' ' 68' ' ' ALA . 98.6 t -140.0 143.03 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -78.94 123.68 27.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.818 HD21 HG23 ' A' ' 35' ' ' ILE . 54.8 mt -68.03 -33.77 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -53.62 -37.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.479 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.1 mtp85 -61.54 -28.15 69.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.1 mt -82.0 -26.27 34.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -67.41 -56.94 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -50.18 -40.93 48.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.512 HD21 ' NE2' ' A' ' 65' ' ' GLN . 3.2 mt -91.05 -15.98 28.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 85' ' ' LEU . 53.7 mt-10 63.91 37.97 9.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -79.36 129.83 34.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -101.71 20.37 16.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.03 155.94 24.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.2 171.66 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.9 p -143.98 178.28 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.636 HG21 ' CE3' ' A' ' 39' ' ' TRP . 40.7 t -136.67 130.03 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.538 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 23.3 mtp180 -121.03 125.96 48.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.8 m -68.58 105.91 2.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.414 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 22.7 mt -78.83 150.41 32.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.2 p -158.5 179.53 9.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.49 62.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.3 mp0 -85.0 -43.24 14.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.59 -160.47 33.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.91 170.92 7.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 t -118.53 168.64 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -50.72 162.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.77 121.98 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.705 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.5 p -57.12 179.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.12 112.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -54.34 104.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.08 98.19 9.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.74 112.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.1 t -66.19 138.38 96.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.1 Cg_endo -69.78 145.26 56.49 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.346 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.681 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.78 -22.03 32.55 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.28 -30.77 66.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.44 -28.55 22.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 114' ' ' PRO . 25.2 mt -69.53 -39.06 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 114' ' ' PRO . 3.8 p -80.36 135.62 53.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.725 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.537 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.74 147.72 63.59 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.03 69.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.264 . . . . 0.0 112.321 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.1 t -142.85 140.43 18.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.554 0.692 . . . . 0.0 111.161 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.69 26.12 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -38.68 141.31 0.59 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.563 0.697 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -48.76 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 126' ' ' GLY . 87.8 p -110.13 97.1 6.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' SER . . . 36.75 -156.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 125.66 12.43 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -117.23 158.56 24.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.0 p -90.0 119.33 30.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.55 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -148.64 168.49 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -169.84 173.93 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.99 -160.44 8.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.462 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -139.78 120.74 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -155.05 112.58 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.64 -160.14 8.24 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.7 m -142.47 147.24 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.755 0.312 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -38.69 148.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -96.53 95.94 8.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.5 m -43.81 142.55 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.426 ' C ' ' HG ' ' A' ' 13' ' ' LEU . 23.9 p -88.96 101.14 13.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.158 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' HG ' ' C ' ' A' ' 12' ' ' THR . 7.2 mt -149.55 139.75 13.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.559 0.695 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 132.58 23.63 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.234 . . . . 0.0 112.359 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.425 ' HB3' ' HG2' ' A' ' 101' ' ' GLN . . . -154.45 138.75 16.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 53' ' ' ALA . . . 72.32 -178.37 38.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.67 85.02 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.33 0.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.63 33.46 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.89 118.56 8.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.91 69.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.372 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 171.13 15.04 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -142.69 -176.4 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t0 54.11 34.01 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.426 HG21 ' OG ' ' A' ' 107' ' ' SER . 55.1 t -67.34 127.47 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.41 168.54 20.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG13 ' HB ' ' A' ' 35' ' ' ILE . 77.4 t -123.42 113.83 39.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -93.55 -75.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.69 134.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -86.65 144.36 19.63 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -38.86 -33.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -115.16 156.85 44.93 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 111.112 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.99 2.44 29.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.41 HG22 ' HA ' ' A' ' 81' ' ' GLU . 64.9 p -137.97 169.5 17.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.79 HG23 HD21 ' A' ' 82' ' ' LEU . 10.3 pt -131.66 179.18 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -125.27 103.01 7.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 t -85.46 100.17 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -94.49 138.69 32.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.653 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.3 p90 -146.45 -175.14 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -118.13 105.6 46.64 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 125.79 12.57 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.09 44.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.384 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -45.73 147.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 50' ' ' SER . 92.0 mt -123.34 131.09 53.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 28.1 p -37.25 158.12 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.613 0.72 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 16.11 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.456 ' H ' ' C ' ' A' ' 45' ' ' THR . 72.4 p -127.14 -18.65 4.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.57 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 110.37 58.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.503 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 48' ' ' GLY . 10.4 mt -153.34 142.69 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.559 ' HA ' HD23 ' A' ' 44' ' ' LEU . 1.7 t -94.67 -63.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -122.96 29.44 6.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.83 -12.87 38.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB2' ' N ' ' A' ' 16' ' ' GLY . . . -105.52 158.78 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.092 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.86 109.03 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.7 t -89.14 119.91 37.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 73.0 p -102.86 -17.24 15.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.83 -161.0 31.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.5 m-85 -126.66 173.13 9.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.85 129.27 3.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.832 ' HB ' ' HB3' ' A' ' 68' ' ' ALA . 87.7 t -94.08 137.44 22.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 111.101 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 66' ' ' ARG . 64.5 m-85 -134.39 155.25 50.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -121.29 -67.33 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.9 mmpt? -124.42 44.6 2.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.55 15.22 66.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -130.62 113.52 14.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 8.6 ttm180 -48.65 111.03 0.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.8 m -96.61 -34.86 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.832 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . . . -141.11 166.99 23.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -166.51 122.66 1.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 p -109.74 122.68 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 71' ' ' ILE . 21.5 mm -77.44 46.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.867 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 4.6 t80 -138.12 114.68 9.16 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.645 0.735 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -24.59 29.7 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.394 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.2 p -105.55 24.44 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.867 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -82.59 130.16 35.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -113.64 15.81 18.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.9 p -171.49 130.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.7 160.55 38.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.84 146.61 23.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.613 HG21 HG11 ' A' ' 60' ' ' VAL . 98.9 t -138.69 137.68 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' HA ' HG22 ' A' ' 34' ' ' THR . 9.2 mt-10 -76.09 119.52 20.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.79 HD21 HG23 ' A' ' 35' ' ' ILE . 33.3 mt -68.06 -30.09 69.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 84' ' ' ARG . 9.4 p -60.18 -42.0 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' N ' HG13 ' A' ' 83' ' ' VAL . 45.8 mtp85 -57.87 -28.79 64.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' GLU . 9.7 mt -78.18 -26.87 47.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -68.28 -56.71 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.22 -41.59 60.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.5 mt -90.44 -15.31 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 85' ' ' LEU . 32.4 mt-10 61.7 37.89 15.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.91 128.68 34.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.3 mmtm -99.38 25.45 6.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.71 160.89 26.99 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.2 m -131.13 170.71 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.907 0.384 . . . . 0.0 111.107 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.4 p -141.18 171.83 13.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.653 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.4 t -135.43 125.9 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -115.79 138.94 50.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.9 m -79.94 90.04 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.951 HD23 ' HB3' ' A' ' 103' ' ' GLU . 47.1 mt -61.31 139.07 58.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.4 p -142.98 171.43 14.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.04 -25.71 67.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.425 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 19.9 mp0 -92.69 -42.78 9.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.19 135.35 1.81 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.951 ' HB3' HD23 ' A' ' 98' ' ' LEU . 0.3 OUTLIER -51.95 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.0 p -120.03 -178.13 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.46 176.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.4 119.37 31.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.426 ' OG ' HG21 ' A' ' 24' ' ' VAL . 25.4 p -54.5 -179.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.86 108.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.3 p -49.14 104.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.84 98.34 9.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.32 113.83 1.74 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 113' ' ' PRO . 98.3 t -66.6 138.92 95.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.71 145.17 56.63 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.606 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.73 -23.7 30.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.05 -36.44 77.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.418 HD12 ' CG ' ' A' ' 113' ' ' PRO . 78.2 mt -79.65 -33.03 41.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 114' ' ' PRO . 21.0 mt -69.04 -37.45 78.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.606 HG12 ' O ' ' A' ' 114' ' ' PRO . 9.1 p -82.42 136.43 45.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.722 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.84 158.83 55.52 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.14 62.19 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.9 t -124.0 140.81 35.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.525 0.678 . . . . 0.0 111.198 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.15 19.27 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -114.79 90.27 21.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.72 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -47.16 -55.66 8.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 134.43 -167.12 23.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.55 2.59 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.328 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.4 m -56.55 -43.32 79.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.842 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 79.2 p -89.37 106.51 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -129.82 173.39 10.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 110.821 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -122.59 144.06 49.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.51 173.02 27.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -114.26 146.99 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 m -127.39 178.59 5.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.05 -168.06 12.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 p -162.3 136.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -71.32 135.08 47.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -132.42 178.32 6.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 m -131.36 165.88 22.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.6 p -114.38 40.8 2.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.155 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.2 mt -58.67 150.4 57.79 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.637 0.732 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 135.42 30.55 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.402 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.18 131.19 23.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 79.67 174.21 46.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.405 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.3 Cg_endo -69.78 149.41 88.58 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.307 0.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 130.8 19.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.96 118.41 2.97 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.607 0.717 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 149.72 67.32 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.744 2.296 . . . . 0.0 112.362 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 171.73 13.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 0.0 112.289 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -142.83 -177.3 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 56.68 30.96 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.736 HG21 ' OG ' ' A' ' 107' ' ' SER . 61.6 t -64.01 127.03 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 164.98 33.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG13 ' HB ' ' A' ' 35' ' ' ILE . 89.8 t -120.74 111.67 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.07 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -90.08 -75.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.42 135.26 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -85.29 143.06 20.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -38.89 -30.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.6 p -119.52 158.05 50.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.54 12.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.38 1.43 21.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.614 HG22 ' HA ' ' A' ' 81' ' ' GLU . 44.3 p -135.78 170.78 15.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.701 HG23 HD21 ' A' ' 82' ' ' LEU . 4.6 pt -132.92 177.77 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.7 ttp180 -125.2 100.06 6.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 t -83.42 98.18 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -91.7 144.74 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CE3' HG21 ' A' ' 95' ' ' VAL . 18.2 p90 -152.13 -176.6 5.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 2.9 mmm180 -118.66 107.26 42.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 125.53 12.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 144.99 55.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.4 m -46.12 146.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 87.8 mt -121.46 132.46 54.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 29.7 p -37.51 157.93 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.579 0.704 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.79 12.02 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.9 p -126.99 -11.34 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.737 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 102.08 60.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.521 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 48' ' ' GLY . 18.2 mt -156.61 128.44 7.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 28.0 t -78.05 -75.42 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -113.54 30.35 7.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.87 -17.7 27.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.21 169.61 9.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -97.94 95.1 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.414 HG13 HG22 ' A' ' 97' ' ' THR . 46.9 t -69.38 113.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -109.98 6.64 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.88 -178.05 29.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.443 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.5 m-85 -119.16 173.4 6.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.874 0.369 . . . . 0.0 110.913 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.12 137.74 7.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.483 HG11 HG21 ' A' ' 80' ' ' VAL . 17.4 t -102.91 140.81 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -134.91 151.77 51.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.81 -75.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.738 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.3 mmpt? -119.51 45.6 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 89.22 9.82 66.82 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.26 114.51 17.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 0.0 110.936 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 ttp180 -49.15 119.3 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.784 HG12 HH11 ' A' ' 84' ' ' ARG . 4.1 m -98.81 -30.25 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.705 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.98 170.92 18.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -166.04 127.04 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.2 p -113.93 122.3 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 71' ' ' ILE . 17.6 mm -79.01 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.869 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.5 t80 -133.44 114.42 13.43 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -24.84 29.0 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.537 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 20.0 p -104.75 22.58 14.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.869 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.22 133.83 36.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -114.65 11.49 16.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.1 p -173.43 134.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.1 t -138.92 152.79 48.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.51 145.39 26.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.705 HG22 ' CB ' ' A' ' 68' ' ' ALA . 95.6 t -141.77 141.95 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.614 ' HA ' HG22 ' A' ' 34' ' ' THR . 8.8 mt-10 -75.58 126.27 30.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.701 HD21 HG23 ' A' ' 35' ' ' ILE . 43.9 mt -72.52 -31.64 65.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.5 p -56.9 -41.78 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.784 HH11 HG12 ' A' ' 67' ' ' VAL . 8.5 mtp-105 -59.83 -21.65 61.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mt -86.86 -29.54 22.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 mmm-85 -66.15 -59.06 4.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -45.98 -40.24 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.598 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.6 mt -88.93 -17.77 28.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 66.1 36.02 5.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.738 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.0 130.57 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.554 ' NZ ' HD13 ' A' ' 117' ' ' LEU . 5.1 mmpt? -102.1 21.16 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.57 156.13 22.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 18.1 m -132.17 172.07 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.1 p -138.78 176.4 8.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.496 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.94 127.16 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -118.04 135.52 54.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.414 HG22 HG13 ' A' ' 55' ' ' VAL . 2.8 m -75.35 104.07 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 23.5 mt -74.31 145.2 44.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.2 p -153.45 172.85 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.442 ' HB3' HE22 ' A' ' 101' ' ' GLN . . . -70.92 -31.02 67.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.07 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.442 HE22 ' HB3' ' A' ' 100' ' ' ALA . 2.5 mp0 -83.71 -44.16 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 168.87 151.84 7.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -70.17 -179.32 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.1 p -120.36 177.72 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.5 m -55.8 168.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 125.72 33.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.736 ' OG ' HG21 ' A' ' 24' ' ' VAL . 91.0 p -59.9 178.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.41 115.66 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -53.57 105.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.74 99.2 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.6 112.4 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.651 HG13 ' HD2' ' A' ' 113' ' ' PRO . 89.8 t -65.32 138.63 97.17 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.623 0.725 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.651 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.74 145.94 58.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.353 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.669 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.79 -25.68 28.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.394 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -64.67 -37.61 88.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.527 HD12 ' HG2' ' A' ' 113' ' ' PRO . 77.0 mt -81.22 -33.2 33.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 114' ' ' PRO . 19.9 mt -63.47 -37.61 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.447 HG23 ' HD2' ' A' ' 119' ' ' PRO . 14.7 p -82.95 134.86 45.88 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.577 0.703 . . . . 0.0 111.151 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.73 145.3 56.87 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 134.52 28.29 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.64 HG23 ' HD2' ' A' ' 122' ' ' PRO . 96.3 m -46.02 138.68 5.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.505 0.669 . . . . 0.0 111.213 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 121' ' ' THR . 53.7 Cg_endo -69.75 160.8 48.34 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.342 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -117.63 143.01 31.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 163.41 38.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.348 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.3 m -120.87 156.78 31.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -86.46 142.52 18.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 -17.88 37.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.712 2.275 . . . . 0.0 112.378 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 19.5 t -70.98 -64.53 0.89 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -85.95 142.0 29.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.522 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 t -167.99 157.39 9.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.821 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -133.79 175.19 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.5 -164.77 15.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.8 p -158.68 -179.83 8.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.358 . . . . 0.0 110.825 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -69.76 178.13 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.75 -161.51 15.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.544 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.2 t -115.65 151.75 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 111.172 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.12 160.38 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.75 155.38 16.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -94.07 160.53 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -102.63 90.81 3.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.5 mt -99.03 149.15 35.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.588 0.708 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 127.75 15.06 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -157.6 153.0 26.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.73 -178.49 35.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 156.83 92.75 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.34 0.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 140.84 43.65 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 120.99 39.69 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.595 0.712 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 148.37 65.3 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 170.2 17.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.365 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -142.51 174.94 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t0 62.36 35.32 15.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' OG ' ' A' ' 107' ' ' SER . 13.8 t -68.1 127.59 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.91 160.96 42.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG13 ' HB ' ' A' ' 35' ' ' ILE . 61.1 t -116.62 110.3 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -87.43 -75.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.37 135.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.19 145.25 19.03 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -43.45 -25.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.389 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.1 p -124.99 157.75 65.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -10.4 28.48 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.258 . . . . 0.0 112.347 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.65 2.96 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 81' ' ' GLU . 67.1 p -141.26 163.25 33.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.771 HG23 HD21 ' A' ' 82' ' ' LEU . 9.0 pt -127.69 -176.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -130.12 99.16 4.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 t -83.99 105.19 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.5 m -97.7 141.88 30.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.429 ' CE3' HG21 ' A' ' 95' ' ' VAL . 23.4 p90 -147.72 -175.04 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -122.16 108.38 34.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.58 45.58 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.243 . . . . 0.0 112.329 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -42.63 136.41 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 84.7 mt -110.39 131.76 54.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 40.5 p -36.93 156.91 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.7 Cg_endo -69.77 13.43 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 45' ' ' THR . 37.9 p -129.14 -7.36 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.63 61.73 1.22 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.2 mt -154.55 129.82 9.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.323 . . . . 0.0 110.957 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.464 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 7.6 t -102.16 102.62 13.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 69.61 25.04 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.544 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 96.34 -11.44 67.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.93 162.47 14.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -100.51 85.88 3.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.494 HG13 HG22 ' A' ' 97' ' ' THR . 38.7 t -66.88 120.02 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 67.5 p -114.91 6.5 15.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.93 -177.88 31.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.435 ' O ' HD11 ' A' ' 98' ' ' LEU . 96.8 m-85 -119.82 172.78 7.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.378 . . . . 0.0 110.922 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.01 135.19 5.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 80' ' ' VAL . 18.8 t -97.83 139.66 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' A' ' 96' ' ' ARG . 83.4 m-85 -133.44 148.62 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -113.37 -73.13 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.643 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.7 mmpt? -121.49 43.19 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.95 8.82 63.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -128.18 114.98 17.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.926 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.445 HH21 HD13 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -46.42 121.6 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.612 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.9 m -103.06 -24.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -155.62 165.89 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -161.8 123.58 2.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -111.58 122.3 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 71' ' ' ILE . 28.8 mm -77.9 45.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.809 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -136.94 114.14 9.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.61 0.719 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 54.3 Cg_endo -69.67 -25.84 28.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.696 2.264 . . . . 0.0 112.385 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 19.3 p -103.41 24.77 10.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.161 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.809 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -77.71 140.67 39.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -116.77 -2.18 11.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.1 m -164.82 141.73 6.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 t -145.3 143.61 30.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.12 141.85 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.544 HG21 HG11 ' A' ' 60' ' ' VAL . 95.3 t -135.55 141.47 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.0 mt-10 -77.29 126.79 31.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.771 HD21 HG23 ' A' ' 35' ' ' ILE . 88.5 mt -72.68 -31.43 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.68 -37.69 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.612 ' HB3' HG12 ' A' ' 67' ' ' VAL . 24.7 mtp85 -63.11 -19.92 64.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.5 mt -89.58 -26.36 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.6 mmm-85 -67.36 -59.86 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -46.33 -42.48 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.4 mt -91.74 -10.26 40.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' LEU . 11.9 mt-10 58.6 35.77 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.643 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -75.68 127.8 33.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.1 12.85 34.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.43 153.41 23.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -126.88 174.29 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 109' ' ' VAL . 49.2 p -142.73 175.74 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.1 t -137.23 127.67 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.585 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 16.8 mtp180 -118.67 135.34 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.494 HG22 HG13 ' A' ' 55' ' ' VAL . 3.0 m -74.95 99.85 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.445 HD13 HH21 ' A' ' 66' ' ' ARG . 19.8 mt -69.78 141.31 53.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.7 p -149.34 179.81 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.534 ' HB3' HE22 ' A' ' 101' ' ' GLN . . . -79.68 -12.09 59.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.534 HE22 ' HB3' ' A' ' 100' ' ' ALA . 4.9 mp0 -97.18 -34.32 11.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.29 168.21 19.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -79.72 154.12 28.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -99.94 175.43 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.4 m -54.83 162.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.88 125.77 30.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.2 p -59.36 -179.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.06 110.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.3 p -50.64 104.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.06 98.35 10.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.49 111.78 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 113' ' ' PRO . 94.6 t -63.01 138.48 97.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.5 Cg_endo -69.81 142.76 48.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.682 2.254 . . . . 0.0 112.339 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.473 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.75 -15.62 37.22 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.333 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -74.25 -37.5 63.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.405 HD12 ' HG2' ' A' ' 113' ' ' PRO . 73.5 mt -81.06 -29.84 34.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 114' ' ' PRO . 25.1 mt -69.01 -38.0 78.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.526 HG23 ' HD2' ' A' ' 119' ' ' PRO . 11.6 p -81.77 136.67 47.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 111.137 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.526 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.7 Cg_endo -69.79 165.77 29.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 128.69 16.43 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.4 t -79.32 140.71 56.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.55 0.69 . . . . 0.0 111.158 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 170.75 15.82 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.266 . . . . 0.0 112.344 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -49.6 136.36 18.19 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.592 0.711 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -25.69 28.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.5 m -59.55 126.59 28.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.78 155.24 9.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 129.25 17.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.8 m -79.0 -58.27 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.9 p -108.4 151.54 25.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.488 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -107.19 104.06 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -144.82 126.87 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.74 -44.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.507 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.5 m -40.69 144.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -95.51 -51.44 4.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.93 -86.59 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.56 177.37 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -103.93 153.16 21.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -127.82 154.57 45.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.8 p -53.57 126.85 23.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.881 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.66 79.78 1.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -57.56 152.52 34.13 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 120.49 7.27 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HB3' ' HG2' ' A' ' 101' ' ' GLN . . . -167.15 151.77 7.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 53' ' ' ALA . . . 72.5 -177.16 40.89 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.526 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.94 93.32 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.375 -0.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.74 43.53 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.83 121.26 48.55 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.56 0.695 . . . . 0.0 111.107 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 149.04 66.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.9 11.82 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -143.33 -178.39 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.78 28.92 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.614 HG21 ' OG ' ' A' ' 107' ' ' SER . 48.1 t -61.1 129.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -150.06 170.09 19.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.437 HG21 HG22 ' A' ' 112' ' ' VAL . 96.2 t -128.22 109.87 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -87.55 -76.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.53 143.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.443 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.93 142.16 15.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -38.24 -34.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -118.98 157.37 50.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.557 0.694 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 1.04 4.77 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.259 . . . . 0.0 112.365 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.58 0.7 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 81' ' ' GLU . 47.1 p -141.41 168.36 19.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.155 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.664 HG23 HD21 ' A' ' 82' ' ' LEU . 6.5 pt -133.5 177.41 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -122.07 95.2 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.6 t -80.64 101.66 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.65 160.21 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.449 ' CE3' HG21 ' A' ' 95' ' ' VAL . 8.8 p90 -167.7 -178.61 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -120.55 110.12 35.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 127.78 15.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.89 38.81 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.9 t -41.75 141.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.0 mt -117.3 134.35 54.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 33.6 p -37.25 157.41 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.4 Cg_endo -69.67 12.12 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.382 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.42 ' H ' ' C ' ' A' ' 45' ' ' THR . 26.4 p -127.07 -13.59 5.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 98.67 63.98 0.85 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 48' ' ' GLY . 52.9 mt -157.36 127.01 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.47 ' HB2' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -100.79 100.21 10.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 71.94 25.11 3.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.579 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 94.72 -8.37 71.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' HB2' ' CA ' ' A' ' 16' ' ' GLY . . . -96.81 155.0 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 111.082 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -94.14 86.57 5.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.586 HG13 HG22 ' A' ' 97' ' ' THR . 41.2 t -68.46 115.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 71.3 p -106.3 2.38 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA2' ' C ' ' A' ' 72' ' ' PHE . . . 155.64 -170.16 33.52 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.8 m-85 -120.58 173.24 7.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.999 0.428 . . . . 0.0 110.902 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.59 130.07 3.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.9 t -93.85 142.08 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.807 0.337 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 96' ' ' ARG . 51.6 m-85 -133.38 144.03 49.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -133.53 104.78 6.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.752 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.5 mmpt? 69.6 28.02 4.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.21 21.46 49.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -136.48 118.76 15.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -58.6 128.46 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.728 HG12 ' HB3' ' A' ' 84' ' ' ARG . 6.1 m -112.84 -28.4 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.615 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -146.52 168.85 20.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -165.68 123.3 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -110.79 121.76 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 71' ' ' ILE . 32.7 mm -77.89 45.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.79 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -135.63 112.02 10.67 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.737 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 53.3 Cg_endo -69.79 -22.86 31.35 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.512 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 51.8 p -105.43 23.41 13.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.79 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -75.14 145.66 41.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.15 -0.02 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 p -172.75 142.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -141.0 163.82 31.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.8 145.83 25.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.615 HG22 ' CB ' ' A' ' 68' ' ' ALA . 97.6 t -140.29 143.03 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 34' ' ' THR . 7.4 mt-10 -79.51 123.72 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 35' ' ' ILE . 92.6 mt -68.1 -33.27 74.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 2.6 p -53.44 -39.58 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.728 ' HB3' HG12 ' A' ' 67' ' ' VAL . 34.6 mtt85 -61.71 -21.67 64.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLU . 7.2 mt -87.35 -24.61 24.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -70.19 -50.92 35.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -54.01 -39.79 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 62' ' ' ALA . 4.7 mt -95.83 -11.92 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' LEU . 12.0 mt-10 60.8 32.81 20.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.752 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -72.47 120.9 18.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -92.18 21.74 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -175.38 156.51 22.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.15 162.96 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 111.083 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.8 p -133.46 164.56 26.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.499 ' H ' ' HG ' ' A' ' 107' ' ' SER . 11.2 t -123.76 127.26 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 55.5 mtt180 -117.43 130.69 56.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.586 HG22 HG13 ' A' ' 55' ' ' VAL . 2.5 m -72.22 105.96 4.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 25.1 mt -76.19 139.5 41.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.0 p -150.27 178.11 9.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.27 -19.84 60.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.593 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 26.9 mp0 -87.26 -39.99 14.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 157.0 166.16 16.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -71.33 157.26 38.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.853 0.358 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 82.6 p -105.33 177.29 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.8 m -54.17 162.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.52 118.94 23.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.614 ' OG ' HG21 ' A' ' 24' ' ' VAL . 97.2 p -54.67 176.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.97 105.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.155 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' A' ' 94' ' ' THR . 6.7 p -48.92 104.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.47 99.47 10.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.14 111.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 113' ' ' PRO . 90.5 t -65.4 138.84 97.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.657 0.741 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.2 Cg_endo -69.71 144.85 55.64 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.719 ' O ' HG12 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.76 -19.96 35.45 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.715 2.277 . . . . 0.0 112.351 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -71.53 -31.46 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.0 mt -87.93 -34.87 17.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 114' ' ' PRO . 21.6 mt -61.85 -37.24 83.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.2 p -85.66 124.96 70.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.096 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 161.24 46.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 132.53 23.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.631 2.22 . . . . 0.0 112.336 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.0 t -151.69 140.52 13.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.608 0.718 . . . . 0.0 111.139 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.57 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -146.34 147.33 30.73 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 110.832 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.75 61.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.619 2.212 . . . . 0.0 112.385 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.8 m -137.07 172.98 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 127' ' ' PRO . . . 140.36 95.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.411 ' HD2' ' HA2' ' A' ' 126' ' ' GLY . 53.7 Cg_endo -69.79 178.21 4.82 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 37.4 p -107.79 150.47 26.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 83.0 p -175.02 126.54 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -153.82 163.27 40.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 m -161.54 165.4 28.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.78 175.89 22.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -165.95 177.6 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.2 p -148.85 166.65 27.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.44 -172.97 34.36 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 p -142.99 131.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 111.119 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -123.79 156.08 36.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -63.1 155.15 28.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 m -70.55 86.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 12' ' ' THR . 8.8 t -125.16 112.44 16.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 44.8 mt -95.77 137.6 21.86 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.615 0.721 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.64 35.93 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.376 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.11 150.87 26.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 68.98 172.07 7.67 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.501 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.76 156.82 92.61 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.359 0.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 137.89 36.57 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.66 117.79 11.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 149.46 66.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 171.48 14.37 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -143.51 -178.52 5.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 55.98 37.52 28.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.653 HG21 ' OG ' ' A' ' 107' ' ' SER . 93.9 t -69.15 133.72 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.28 167.46 26.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 35' ' ' ILE . 75.5 t -124.83 114.46 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -94.27 -75.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.49 136.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.34 141.02 16.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 55.8 t -35.24 -31.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.6 p -115.2 157.04 44.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.596 0.713 . . . . 0.0 111.133 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -7.53 21.28 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.643 2.229 . . . . 0.0 112.357 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.68 7.02 30.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 81' ' ' GLU . 69.1 p -137.63 172.12 13.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.686 HG23 HD21 ' A' ' 82' ' ' LEU . 5.7 pt -136.81 171.19 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -118.05 100.93 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.86 99.41 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.0 m -94.46 142.51 27.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.717 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.8 p90 -149.78 -176.59 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -116.55 106.06 49.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.64 0.733 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 127.1 14.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 141.49 45.49 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -45.68 141.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 89.5 mt -116.53 132.28 56.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 30.7 p -37.47 157.84 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.586 0.708 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 13.44 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.739 2.293 . . . . 0.0 112.326 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 45' ' ' THR . 80.7 p -128.05 -14.17 4.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.661 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 105.69 58.6 0.64 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.4 mt -155.72 130.8 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 18.7 t -83.54 -71.47 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -114.12 32.12 6.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.67 -16.2 48.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 101' ' ' GLN . . . -99.83 156.63 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.435 ' HA ' HD23 ' A' ' 49' ' ' LEU . 3.6 m120 -83.5 105.03 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 96.5 t -83.03 114.63 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -101.64 -13.68 17.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.86 -167.28 40.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.475 ' CE1' HG23 ' A' ' 97' ' ' THR . 97.3 m-85 -123.74 174.46 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.922 0.391 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.33 135.76 6.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.666 HG11 HG21 ' A' ' 80' ' ' VAL . 63.4 t -100.14 135.95 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 33.4 m-85 -132.42 156.48 46.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -124.3 -69.69 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.743 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.8 mmpt? -123.02 44.58 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.17 15.07 63.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.515 ' NE2' HD21 ' A' ' 88' ' ' LEU . 49.1 mt-30 -132.68 113.72 13.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -50.35 107.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG2' HG12 ' A' ' 60' ' ' VAL . 4.0 m -85.98 -30.74 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.551 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -151.32 168.63 24.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -163.87 124.75 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.75 122.33 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.178 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 71' ' ' ILE . 23.0 mm -77.83 45.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.923 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.1 t80 -134.52 116.84 13.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.722 0.772 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -29.77 23.46 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.715 2.277 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 33.5 p -103.61 28.65 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.923 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -83.16 132.52 35.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -115.51 13.57 16.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.6 p -172.97 130.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.6 t -139.34 143.52 37.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.39 145.05 35.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.666 HG21 HG11 ' A' ' 60' ' ' VAL . 92.4 t -140.27 140.51 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -75.08 127.09 32.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.686 HD21 HG23 ' A' ' 35' ' ' ILE . 46.0 mt -72.79 -32.58 65.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.6 p -54.99 -41.15 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.505 ' HB3' HG12 ' A' ' 67' ' ' VAL . 40.4 mtp85 -58.03 -28.42 64.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.2 mt -79.95 -22.73 42.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 3.5 mmm180 -72.74 -56.83 4.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.87 -39.86 27.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.515 HD21 ' NE2' ' A' ' 65' ' ' GLN . 4.0 mt -92.27 -18.08 23.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 66.07 37.56 5.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.743 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.53 128.41 33.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -99.12 22.7 10.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -173.75 157.92 26.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.1 m -130.67 175.16 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.931 0.396 . . . . 0.0 111.11 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 109' ' ' VAL . 44.2 p -145.81 174.09 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.717 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.3 t -134.73 126.75 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.536 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 24.5 mtp180 -117.9 133.23 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.475 HG23 ' CE1' ' A' ' 58' ' ' TYR . 2.7 m -74.23 103.05 4.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 21.5 mt -76.45 140.61 41.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 12.5 p -154.5 167.15 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.21 -30.0 70.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.439 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 78.9 mm-40 -74.57 -47.66 31.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.64 159.11 12.62 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -72.48 164.0 27.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.4 p -114.54 171.08 7.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -52.42 172.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.6 124.75 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 24' ' ' VAL . 80.8 p -55.8 178.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.88 113.85 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -52.58 104.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.433 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -85.72 98.96 11.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.94 111.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 113' ' ' PRO . 88.4 t -66.35 136.9 95.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 0.0 111.081 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.79 145.61 57.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.25 . . . . 0.0 112.318 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.787 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.74 -25.25 28.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -63.72 -37.34 86.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.582 HD12 ' HG2' ' A' ' 113' ' ' PRO . 58.9 mt -81.0 -34.79 32.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 114' ' ' PRO . 29.2 mt -64.37 -40.47 95.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 114' ' ' PRO . 6.6 p -82.32 133.33 50.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.71 144.06 53.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.55 24.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.2 t -102.74 140.88 21.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.619 0.723 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 107.83 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.301 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.423 ' ND1' ' HD2' ' A' ' 124' ' ' PRO . 83.7 t60 -86.03 133.84 40.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.611 0.72 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.423 ' HD2' ' ND1' ' A' ' 123' ' ' HIS . 54.1 Cg_endo -69.75 163.06 39.67 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 93.7 p -150.76 155.56 39.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.93 -167.48 16.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 110.37 2.53 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.0 t -159.59 142.61 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.4 p -153.27 160.8 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.541 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -152.22 160.49 43.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -55.41 169.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.75 -94.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -153.02 119.92 5.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -111.73 168.44 9.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.86 -165.95 28.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' GLU . 92.4 t -130.43 111.91 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.815 0.34 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' VAL . 19.3 mt-10 -37.28 155.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -83.15 99.48 9.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.5 t -126.88 138.52 53.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.81 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.9 p -88.63 85.89 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.8 mt -112.79 147.34 36.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 126.21 13.01 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' HB3' ' HG2' ' A' ' 101' ' ' GLN . . . -159.37 138.38 11.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.31 177.33 9.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.53 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.59 87.04 Favored 'Cis proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.34 0.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.58 25.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.06 119.69 7.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.703 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 153.08 69.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 169.98 17.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.385 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -139.85 179.35 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 57.05 39.41 29.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.734 HG12 ' HB2' ' A' ' 110' ' ' ALA . 82.0 t -71.57 133.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.24 169.43 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.493 HG21 HG22 ' A' ' 112' ' ' VAL . 38.6 t -128.12 112.42 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.692 ' O ' HD11 ' A' ' 116' ' ' LEU . 34.3 mm-40 -90.96 -76.19 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -176.23 137.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -87.74 140.56 16.61 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.478 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.4 t -33.41 -34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.9 p -115.41 157.99 42.61 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.608 0.718 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -2.86 10.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.67 2.246 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' C ' HD12 ' A' ' 82' ' ' LEU . . . -108.09 -0.87 20.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.652 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.1 p -134.16 162.34 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.57 ' CG2' HD21 ' A' ' 82' ' ' LEU . 3.3 pt -127.49 167.65 22.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 10.5 ttt-85 -113.76 103.02 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 t -87.28 102.74 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.3 162.17 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.831 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.551 ' CE3' HG21 ' A' ' 95' ' ' VAL . 6.6 p90 -172.79 177.3 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -116.59 111.2 41.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 127.21 14.21 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.362 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 142.51 48.03 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.1 t -47.85 143.9 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 88.1 mt -119.43 132.23 55.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 27.4 p -37.56 158.02 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.572 0.701 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.75 13.97 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.691 2.26 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 45' ' ' THR . 47.2 p -126.02 -15.42 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.752 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 106.09 56.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.752 HD23 ' O ' ' A' ' 48' ' ' GLY . 15.5 mt -156.19 132.87 10.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.799 0.333 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 5.3 t -83.43 -64.81 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -124.99 34.83 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.86 -17.15 42.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.509 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.61 165.93 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.762 0.315 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -97.4 93.43 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.5 t -65.73 112.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.195 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.1 p -106.52 7.5 30.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.66 179.52 23.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.429 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.401 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -112.87 172.0 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.982 0.42 . . . . 0.0 110.881 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -148.13 126.86 2.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 67' ' ' VAL . 48.7 t -91.86 139.05 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 27.0 m-85 -128.43 153.65 46.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -147.08 105.9 3.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.733 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 5.7 mmpt? 68.03 34.56 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.97 27.49 56.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.786 ' NE2' HD21 ' A' ' 88' ' ' LEU . 3.8 mt-30 -143.94 120.21 10.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 17.7 ttp-105 -60.24 127.61 32.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' A' ' 84' ' ' ARG . 12.5 m -104.85 -33.67 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.111 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.628 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -145.27 177.36 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -169.96 120.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 70' ' ' VAL . 5.8 p -109.19 120.17 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.7 mm -77.29 45.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.748 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.8 t80 -135.44 114.09 11.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 72' ' ' PHE . 53.9 Cg_endo -69.75 -27.45 26.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.431 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.7 p -101.7 24.66 9.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.748 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -72.95 148.37 44.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -123.16 -7.52 8.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -165.57 139.76 4.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 t -140.79 149.76 42.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.99 146.77 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.628 HG22 ' CB ' ' A' ' 68' ' ' ALA . 91.5 t -141.72 142.26 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.652 ' HA ' HG22 ' A' ' 34' ' ' THR . 11.9 mt-10 -76.5 122.55 24.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.7 HD23 HD12 ' A' ' 85' ' ' LEU . 9.2 mt -68.15 -32.67 73.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 81' ' ' GLU . 5.9 p -52.09 -39.78 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.545 ' HB3' HG12 ' A' ' 67' ' ' VAL . 42.5 mtp85 -61.97 -25.21 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.7 HD12 HD23 ' A' ' 82' ' ' LEU . 3.5 mt -83.59 -24.56 31.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -70.77 -55.47 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -50.54 -38.21 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.786 HD21 ' NE2' ' A' ' 65' ' ' GLN . 3.1 mt -95.3 -13.31 24.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.6 mt-10 60.45 38.02 19.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.733 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -77.19 122.08 24.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -91.37 25.23 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 179.55 160.18 24.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.468 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.2 m -130.03 167.89 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 111.135 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 109' ' ' VAL . 25.9 p -138.54 171.71 13.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.551 HG21 ' CE3' ' A' ' 39' ' ' TRP . 19.1 t -134.19 127.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.407 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 18.3 mtp180 -117.4 132.9 56.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.0 m -72.78 102.69 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.3 mt -73.28 142.76 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.0 p -149.46 -179.76 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.68 43.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.555 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 3.0 mp0 -88.06 -42.51 12.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.88 147.93 5.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.1 177.35 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 59.1 p -115.71 -179.16 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.89 174.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.89 120.84 29.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.606 ' OG ' HG21 ' A' ' 24' ' ' VAL . 80.9 p -56.98 177.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -50.6 110.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.581 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.7 p -52.4 104.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.734 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -81.03 98.42 7.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.77 113.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 26' ' ' VAL . 94.5 t -66.62 133.87 94.26 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.719 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.564 ' HG2' HD12 ' A' ' 116' ' ' LEU . 53.8 Cg_endo -69.81 145.74 57.81 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.584 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.78 -21.8 32.89 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.71 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' ' 27' ' ' GLN . 87.3 mt -91.24 -33.74 15.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.475 HD23 HD22 ' A' ' 82' ' ' LEU . 21.7 mt -63.27 -40.73 98.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.599 HG23 ' HD2' ' A' ' 119' ' ' PRO . 6.2 p -75.48 137.5 71.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.582 0.706 . . . . 0.0 111.184 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.6 Cg_endo -69.75 154.78 67.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.722 2.281 . . . . 0.0 112.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.1 58.11 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.689 2.26 . . . . 0.0 112.326 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.1 t -41.2 141.01 1.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.506 0.67 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.97 13.43 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.773 2.315 . . . . 0.0 112.336 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 124' ' ' PRO . 12.5 t-80 -166.46 138.1 2.91 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.594 0.711 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 123' ' ' HIS . 53.9 Cg_endo -69.8 129.1 16.98 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.2 t -164.55 123.28 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -105.24 -172.26 24.11 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.553 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 174.9 8.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.0 p -141.94 158.37 43.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 m -73.45 -56.26 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -75.58 152.34 37.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -81.99 115.81 21.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.16 -76.89 0.88 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m 48.52 41.9 17.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.846 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -61.52 164.89 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.54 -56.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.91 141.21 41.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.784 0.326 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -101.43 106.91 18.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -74.16 123.13 23.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.6 m -135.21 133.04 38.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -76.82 89.04 3.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mp -52.05 154.19 4.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 131.39 21.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.373 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB3' ' HG2' ' A' ' 101' ' ' GLN . . . -135.41 156.14 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.091 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.433 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 62.54 170.66 1.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.82 150.04 89.67 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.34 0.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.78 41.3 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.51 118.74 17.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 111.125 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 147.79 63.51 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.74 18.25 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -141.57 -176.29 4.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 t0 54.5 36.85 26.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.746 HG21 ' OG ' ' A' ' 107' ' ' SER . 40.4 t -69.47 125.07 26.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -146.15 155.19 42.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 112' ' ' VAL . 69.8 t -110.78 108.28 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -86.03 -75.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 135.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.01 141.73 18.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.47 -24.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.927 0.394 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 29' ' ' GLY . 5.2 p -120.83 156.71 56.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.102 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.72 12.57 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.718 2.279 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.95 3.29 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.0 p -133.41 169.21 17.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.712 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.2 pt -134.68 168.91 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -117.95 100.89 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.88 100.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.6 m -93.67 140.99 28.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.611 ' CE3' HG21 ' A' ' 95' ' ' VAL . 22.4 p90 -148.08 -175.23 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 47.6 mmm-85 -121.4 105.71 38.8 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 110.848 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 130.85 20.0 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 141.71 45.62 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.632 2.221 . . . . 0.0 112.321 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.2 t -48.56 136.73 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' O ' ' O ' ' A' ' 45' ' ' THR . 89.5 mt -109.9 131.06 55.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.7 p -37.54 158.03 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.609 0.718 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.0 Cg_endo -69.7 15.89 0.22 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.461 ' H ' ' C ' ' A' ' 45' ' ' THR . 81.6 p -127.26 -16.72 4.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.755 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.41 56.97 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 48' ' ' GLY . 14.6 mt -156.42 135.81 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.5 t -88.44 -71.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 17' ' ' PRO . 52.6 t-20 -112.66 21.77 15.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.13 -18.44 11.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.62 168.42 10.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -97.11 96.74 8.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -67.02 113.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.9 p -108.64 7.57 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 150.66 179.98 26.88 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -118.31 175.86 5.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.894 0.378 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.36 131.84 4.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.471 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.611 HG11 HG21 ' A' ' 80' ' ' VAL . 16.5 t -96.94 142.67 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.844 0.354 . . . . 0.0 111.162 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.577 ' CG ' ' NH1' ' A' ' 96' ' ' ARG . 26.9 m-85 -138.96 150.76 46.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -113.04 -71.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.084 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.755 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 6.9 mmpt? -119.25 46.76 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.35 12.39 73.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.667 HE21 HD21 ' A' ' 88' ' ' LEU . 13.0 mt-30 -128.88 113.48 15.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 15.6 ttp-105 -46.75 116.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 16.1 m -99.62 -29.31 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.67 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -150.36 165.17 33.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.7 124.22 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.1 p -110.17 122.36 64.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.6 HG22 ' O ' ' A' ' 71' ' ' ILE . 32.6 mm -78.71 44.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.86 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.6 t80 -135.28 114.34 11.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.68 0.752 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.27 29.02 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.2 p -104.15 23.01 13.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.86 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.81 134.96 36.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.65 7.78 14.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 91.4 p -170.46 133.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -138.04 152.87 49.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.7 142.31 27.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.107 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 68' ' ' ALA . 86.9 t -137.86 141.48 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.38 127.65 33.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.712 HD21 ' CG2' ' A' ' 35' ' ' ILE . 58.5 mt -73.6 -32.69 64.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.5 p -54.56 -38.63 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.465 ' O ' HD12 ' A' ' 88' ' ' LEU . 84.7 mtt-85 -60.16 -28.04 67.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.2 mt -82.38 -21.74 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -71.22 -56.32 6.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.1 -40.25 60.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.667 HD21 HE21 ' A' ' 65' ' ' GLN . 4.1 mt -90.15 -15.7 31.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 62.61 36.24 13.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.755 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.77 129.39 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.99 20.07 16.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.41 155.25 23.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 m -131.33 174.83 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.548 HG22 ' HA ' ' A' ' 109' ' ' VAL . 45.1 p -144.68 175.67 10.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.611 HG21 ' CE3' ' A' ' 39' ' ' TRP . 15.2 t -133.88 125.79 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.577 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 32.0 mtt85 -113.79 139.27 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.3 m -80.53 108.99 14.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.12 139.22 34.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.3 p -152.86 170.19 20.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.51 -26.87 67.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.496 ' N ' HE21 ' A' ' 101' ' ' GLN . 0.0 OUTLIER -81.28 -40.98 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.91 -155.53 26.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -109.44 169.81 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.5 p -120.55 166.58 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.2 m -45.15 160.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' HB3' ' NH2' ' A' ' 96' ' ' ARG . 0.2 OUTLIER -81.0 128.67 33.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.746 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.0 p -59.76 179.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.96 110.3 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.584 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -50.34 105.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.27 97.85 10.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.77 109.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 113' ' ' PRO . 85.6 t -63.76 137.44 97.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.652 0.739 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.618 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.8 Cg_endo -69.69 145.26 57.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.329 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.655 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.5 Cg_endo -69.77 -23.86 30.27 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -66.59 -36.77 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 68.6 mt -82.77 -29.19 29.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 114' ' ' PRO . 22.3 mt -68.94 -37.1 78.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 114' ' ' PRO . 7.6 p -85.35 137.48 36.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.2 Cg_endo -69.73 169.06 19.74 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.0 32.47 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.8 t -138.47 141.94 33.05 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.58 0.705 . . . . 0.0 111.116 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 159.29 53.98 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -69.31 120.13 74.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.553 0.692 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 146.4 59.78 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.2 p -153.08 155.78 37.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.19 -95.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.44 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 107.13 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.262 . . . . 0.0 112.339 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 25.1 p -85.84 118.85 25.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.1 p -83.39 140.99 32.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -88.18 142.98 27.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.856 0.36 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.5 m -129.25 157.67 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.05 120.23 18.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -156.41 168.28 27.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.835 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -53.54 157.74 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.46 -145.97 8.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.8 t -123.86 119.26 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -72.72 174.23 7.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -106.21 50.46 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 m -108.54 -44.05 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -53.68 114.46 1.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 mt -53.73 153.29 8.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 137.27 35.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.06 154.88 33.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 71.53 177.74 27.87 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 154.31 93.27 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.348 0.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.41 25.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.16 118.81 5.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.603 0.716 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 149.2 66.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.734 2.29 . . . . 0.0 112.345 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 172.06 13.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.687 2.258 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -144.14 -179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 60.41 33.4 20.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG21 ' OG ' ' A' ' 107' ' ' SER . 59.0 t -66.1 127.42 27.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.98 158.84 44.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.474 HG13 ' HB ' ' A' ' 35' ' ' ILE . 85.3 t -115.12 112.46 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -91.81 -75.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.87 134.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -84.53 145.69 22.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -40.44 -30.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -119.17 157.57 50.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.555 0.693 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -2.66 10.55 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.727 2.285 . . . . 0.0 112.303 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -109.03 3.99 22.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.064 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 81' ' ' GLU . 63.5 p -137.45 175.82 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.735 HG23 HD21 ' A' ' 82' ' ' LEU . 5.2 pt -137.57 174.92 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 56.1 ttp85 -123.4 99.4 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -83.05 100.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.9 m -93.22 141.69 28.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.744 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.9 p90 -149.39 -175.44 4.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -121.3 106.2 38.49 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.601 0.715 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.05 18.66 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.693 2.262 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 144.34 54.07 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.711 2.274 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.62 141.26 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 94.6 mt -114.36 133.53 55.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.476 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 24.5 p -37.55 158.09 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.113 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.7 14.98 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 66.9 p -127.65 -20.26 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.755 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 112.57 55.48 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.461 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.755 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.5 mt -155.76 129.84 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 1.3 t -82.68 -71.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -114.65 27.76 9.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.75 25.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.45 13.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -92.85 94.53 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.5 t -69.87 124.07 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.5 p -118.08 4.66 12.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 156.59 -174.28 34.33 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.447 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 97.0 m-85 -121.87 173.42 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.936 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -143.06 133.8 5.66 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.866 HG11 HG21 ' A' ' 80' ' ' VAL . 60.0 t -99.74 131.52 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -129.97 150.87 51.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -116.17 -67.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.084 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.773 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.0 mmpt? -124.93 44.6 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.44 13.39 68.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.52 ' NE2' HD22 ' A' ' 88' ' ' LEU . 4.2 mp0 -128.22 113.28 15.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -50.84 108.54 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 m -89.2 -38.84 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.504 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -144.12 165.95 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -160.32 123.03 3.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.97 122.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.545 HG22 ' O ' ' A' ' 71' ' ' ILE . 29.0 mm -78.31 45.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.917 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.9 t80 -133.51 115.54 13.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.71 0.767 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 -28.83 24.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.9 p -104.11 28.5 6.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -83.26 133.32 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.67 11.0 16.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.808 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.6 p -171.1 137.6 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 t -143.89 155.16 43.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.62 145.18 25.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.866 HG21 HG11 ' A' ' 60' ' ' VAL . 85.5 t -141.37 137.87 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.533 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.7 mt-10 -72.91 128.3 35.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.83 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 35' ' ' ILE . 51.8 mt -74.45 -31.0 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.7 p -56.21 -42.38 73.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 88' ' ' LEU . 47.3 mtp85 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 82' ' ' LEU . 9.5 mt -80.26 -27.07 38.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mmm-85 -68.2 -59.29 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.814 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.0 m -49.9 -40.19 42.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.569 HD12 ' O ' ' A' ' 84' ' ' ARG . 4.3 mt -88.85 -17.92 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 85' ' ' LEU . 34.8 mt-10 64.48 38.04 7.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.773 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.5 126.67 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -98.44 26.37 5.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -179.15 158.53 22.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.34 171.64 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.359 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 109' ' ' VAL . 28.4 p -144.88 168.61 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.744 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.6 t -130.82 128.51 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -118.72 135.34 54.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 m -74.46 108.46 7.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 39.0 mt -82.06 139.66 34.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -150.79 175.86 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.34 67.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -81.68 -43.16 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 166.24 -153.59 23.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -110.48 173.68 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 p -122.45 170.19 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.3 m -47.97 164.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.91 122.55 28.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.47 ' OG ' HG21 ' A' ' 24' ' ' VAL . 35.8 p -56.7 178.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.19 108.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.4 p -50.11 104.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.444 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.58 98.32 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.4 113.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.657 HG13 ' HD2' ' A' ' 113' ' ' PRO . 84.3 t -65.82 138.62 96.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.657 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.8 145.61 57.46 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.452 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.1 Cg_endo -69.78 -22.47 31.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.5 pt-20 -70.97 -36.09 72.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 80.7 mt -80.0 -37.09 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 114' ' ' PRO . 22.4 mt -61.84 -33.76 74.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 114' ' ' PRO . 11.2 p -87.35 128.44 55.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.706 0.765 . . . . 0.0 111.113 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 154.81 67.23 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.733 2.289 . . . . 0.0 112.312 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 146.87 61.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.561 HG23 ' HD2' ' A' ' 122' ' ' PRO . 41.2 m -110.62 137.48 20.75 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.528 0.68 . . . . 0.0 111.202 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.561 ' HD2' HG23 ' A' ' 121' ' ' THR . 54.0 Cg_endo -69.71 -46.89 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.672 2.248 . . . . 0.0 112.401 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -69.99 118.4 63.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.568 0.699 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -177.6 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 96.4 p -138.09 110.95 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.54 -101.05 0.34 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.47 4.58 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 68.7 p -171.65 106.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.0 p -59.45 153.77 18.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -53.15 155.93 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.37 . . . . 0.0 110.833 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 m -111.28 -46.43 3.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.61 171.18 21.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.561 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -121.51 145.82 47.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.946 0.403 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -58.14 155.87 10.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.82 125.05 29.93 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.6 116.71 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -97.78 102.6 14.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -62.32 167.29 4.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.3 m -104.17 -57.12 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p 45.32 40.22 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.0 mt -49.01 150.39 2.79 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.636 0.731 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 130.11 18.81 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.27 134.13 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.24 177.63 46.3 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 155.04 93.54 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.303 0.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 137.06 34.55 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.21 119.28 16.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.521 0.677 . . . . 0.0 111.111 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.32 69.31 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 175.5 8.0 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.706 2.271 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -146.87 179.43 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.4 t70 58.33 30.02 18.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG21 ' OG ' ' A' ' 107' ' ' SER . 47.5 t -63.06 127.64 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.33 166.27 28.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG13 ' HB ' ' A' ' 35' ' ' ILE . 87.4 t -120.28 112.87 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -91.73 -75.39 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.48 136.73 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -86.72 147.18 21.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -40.62 -25.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.414 . . . . 0.0 111.179 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.2 p -126.02 158.81 64.74 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.59 0.709 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 0.04 6.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.34 4.0 18.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.418 HG22 ' HA ' ' A' ' 81' ' ' GLU . 35.9 p -138.25 173.13 11.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.821 HG23 HD21 ' A' ' 82' ' ' LEU . 9.6 pt -134.69 176.51 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -125.38 96.8 4.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 t -77.53 98.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.6 m -92.9 140.32 29.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.627 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.0 p90 -150.04 -177.08 5.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 54.5 mmm-85 -118.51 107.8 42.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 128.72 16.4 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.91 49.13 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.715 2.276 . . . . 0.0 112.364 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.2 m -46.52 144.16 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 50' ' ' SER . 87.6 mt -119.26 130.4 55.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.473 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 36.0 p -37.61 157.68 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.76 14.11 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.449 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.7 p -128.03 -8.0 5.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.696 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 97.14 61.55 0.94 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.696 HD23 ' O ' ' A' ' 48' ' ' GLY . 24.0 mt -158.0 126.66 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.512 ' HA ' HD23 ' A' ' 44' ' ' LEU . 43.4 t -76.06 -75.15 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -113.84 30.12 7.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.31 -14.15 33.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.07 156.98 17.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.1 m-20 -85.09 98.19 10.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.2 t -76.26 120.94 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.72 -12.87 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 167.54 -166.68 39.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.45 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -122.85 173.98 7.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.93 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -149.2 129.63 3.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.437 HG12 ' CG2' ' A' ' 67' ' ' VAL . 48.2 t -94.33 140.48 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -131.27 156.07 46.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.535 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -148.77 105.0 3.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.111 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.698 ' CG ' ' HB2' ' A' ' 90' ' ' ALA . 9.4 mmpt? 68.62 31.74 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.9 26.61 48.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.439 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' OE1' HD21 ' A' ' 88' ' ' LEU . 8.5 mt-30 -142.5 117.68 10.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 66' ' ' ARG . 19.0 ttp-105 -58.9 127.95 34.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG12 ' HB3' ' A' ' 84' ' ' ARG . 7.2 m -105.95 -24.46 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.515 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -159.04 173.35 16.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -165.56 122.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -107.18 123.15 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 71' ' ' ILE . 32.5 mm -79.8 43.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.862 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 t80 -132.67 115.12 14.49 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -27.98 25.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.527 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 76.0 p -102.93 26.01 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.862 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.39 136.72 36.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -116.82 8.32 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 93.3 p -169.25 136.1 1.74 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -140.34 146.24 38.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.32 144.55 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 68' ' ' ALA . 98.5 t -142.68 141.45 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' HG22 ' A' ' 34' ' ' THR . 6.1 mt-10 -75.11 126.64 31.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.821 HD21 HG23 ' A' ' 35' ' ' ILE . 50.9 mt -71.41 -33.4 69.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.491 ' HA ' ' CG ' ' A' ' 86' ' ' ARG . 5.2 p -53.25 -43.55 50.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.469 ' N ' HG13 ' A' ' 83' ' ' VAL . 50.9 mtp85 -54.62 -37.51 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.5 mt -71.87 -13.41 61.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.879 ' CZ ' HD22 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -83.35 -54.24 5.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -51.4 -28.9 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 62' ' ' ALA . 3.1 mt -105.46 -13.02 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 63.45 36.78 11.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.698 ' HB2' ' CG ' ' A' ' 63' ' ' LYS . . . -77.83 125.98 30.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -97.0 23.52 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -176.6 161.11 28.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.5 m -130.59 166.06 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.9 p -137.0 168.81 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.627 HG21 ' CE3' ' A' ' 39' ' ' TRP . 10.8 t -133.39 123.33 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.082 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -115.51 133.27 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 m -72.74 112.37 8.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.5 mt -84.61 138.61 32.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.3 p -148.37 166.12 29.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.16 -30.39 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -77.53 -45.15 26.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.97 -152.76 20.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -112.37 170.05 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.413 ' OG ' ' N ' ' A' ' 105' ' ' VAL . 3.3 t -116.19 174.68 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.413 ' N ' ' OG ' ' A' ' 104' ' ' SER . 32.5 m -54.58 163.8 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.51 120.62 25.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.58 ' OG ' HG21 ' A' ' 24' ' ' VAL . 79.5 p -57.81 175.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.44 113.79 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.586 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -54.44 104.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -79.54 98.02 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.13 111.34 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.643 HG13 ' HD2' ' A' ' 113' ' ' PRO . 93.9 t -67.97 138.44 92.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.592 0.71 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.643 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.73 144.11 53.13 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.457 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.76 -17.62 37.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.621 2.214 . . . . 0.0 112.326 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -74.86 -37.53 62.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 76.8 mt -78.81 -30.88 45.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.879 HD22 ' CZ ' ' A' ' 86' ' ' ARG . 46.2 mt -66.19 -40.97 90.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 114' ' ' PRO . 7.1 p -81.19 131.67 58.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 168.29 21.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 161.52 45.62 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.3 t -71.11 139.83 85.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 111.124 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.6 16.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.67 150.62 93.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.566 0.698 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -30.97 21.45 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -61.62 139.51 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -116.64 80.2 0.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 178.23 4.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.326 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 82.4 p -40.84 118.33 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.8 p -157.51 139.0 13.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.508 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -130.9 102.83 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -106.99 92.14 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.23 60.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -57.99 130.95 48.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.812 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -128.12 151.98 48.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' OE1' ' A' ' 9' ' ' GLU . . . -141.18 -140.12 3.78 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.519 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 8' ' ' VAL . 21.1 m -69.84 82.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 111.159 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 7' ' ' GLY . 21.2 mp0 -142.64 135.78 28.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -82.72 43.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 m -102.88 160.31 14.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 12' ' ' THR . 4.7 t -38.03 109.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.2 141.69 40.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 132.48 23.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.55 125.36 21.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.414 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 82.07 173.33 48.57 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.414 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.3 Cg_endo -69.72 151.68 91.54 Favored 'Cis proline' 0 C--O 1.231 0.173 0 C-N-CA 122.703 -1.791 . . . . 0.0 112.334 0.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.75 36.16 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.9 117.15 8.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.603 0.716 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 149.58 67.59 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.383 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 171.33 14.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.741 2.294 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -142.9 -177.12 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 54.24 35.72 23.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 ' OG ' ' A' ' 107' ' ' SER . 63.3 t -68.19 129.14 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -147.71 169.68 19.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG13 ' HB ' ' A' ' 35' ' ' ILE . 76.2 t -123.24 110.04 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -88.33 -75.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.25 138.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.463 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -90.54 142.44 16.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -38.98 -29.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 29' ' ' GLY . 6.3 p -119.07 156.62 52.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.574 0.702 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -3.4 11.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.28 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.15 -5.11 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.556 HG22 ' HA ' ' A' ' 81' ' ' GLU . 66.2 p -131.22 167.92 18.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.637 HG23 HD21 ' A' ' 82' ' ' LEU . 7.5 pt -131.93 179.43 4.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.9 ttt85 -125.64 104.59 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.72 102.45 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -95.0 139.05 31.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.502 ' CE3' HG21 ' A' ' 95' ' ' VAL . 21.4 p90 -147.13 -178.61 6.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -117.21 105.04 49.56 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.23 17.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.709 2.272 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 138.72 38.54 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.703 2.269 . . . . 0.0 112.352 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.76 134.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 93.2 mt -107.08 135.69 48.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.479 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 23.6 p -42.21 158.5 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.581 0.705 . . . . 0.0 111.161 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.8 Cg_endo -69.75 13.16 0.3 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.439 ' H ' ' C ' ' A' ' 45' ' ' THR . 69.8 p -127.53 -11.69 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.102 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.718 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.19 62.11 0.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 48' ' ' GLY . 18.1 mt -157.36 128.45 6.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 31.4 t -79.73 -69.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -118.83 32.73 5.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.49 -11.89 47.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.556 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB1' ' OE1' ' A' ' 101' ' ' GLN . . . -103.39 155.0 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' C ' ' HB2' ' A' ' 99' ' ' SER . 4.0 m120 -82.46 91.51 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.4 t -71.3 119.98 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.5 p -106.45 -13.62 15.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.45 -164.26 36.53 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.441 ' CD1' ' HA ' ' A' ' 97' ' ' THR . 89.4 m-85 -124.89 173.9 8.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.885 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.55 129.23 3.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG12 ' CG2' ' A' ' 67' ' ' VAL . 47.7 t -94.13 143.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 111.131 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -139.17 149.72 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -118.32 -73.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.748 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.0 mmpt? -118.98 46.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.76 14.25 70.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -131.88 113.3 13.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 39.3 ttp180 -47.88 114.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.773 HG12 HH11 ' A' ' 84' ' ' ARG . 3.4 m -93.99 -31.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.29 165.75 33.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 10.2 pt-20 -162.69 124.37 2.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -110.38 123.32 66.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 71' ' ' ILE . 14.0 mm -77.84 46.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.871 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.2 t80 -135.63 114.7 11.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.728 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.31 26.64 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.534 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 57.9 p -103.2 25.15 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.26 137.9 36.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.01 11.23 10.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.1 p -172.19 129.6 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -137.15 153.54 50.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.0 144.28 27.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 50.9 t -138.44 142.76 34.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.556 ' HA ' HG22 ' A' ' 34' ' ' THR . 3.9 mt-10 -80.59 124.81 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.637 HD21 HG23 ' A' ' 35' ' ' ILE . 82.4 mt -71.53 -31.18 66.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 4.3 p -56.76 -41.25 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.773 HH11 HG12 ' A' ' 67' ' ' VAL . 7.5 mtp-105 -59.55 -24.32 63.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 82' ' ' LEU . 6.8 mt -83.4 -26.48 30.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.4 mmm-85 -67.61 -57.64 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -49.29 -38.65 28.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.5 mt -92.2 -18.16 23.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 85' ' ' LEU . 30.1 mt-10 65.39 38.07 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.748 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -81.75 126.82 32.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -98.16 18.81 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -167.73 158.05 30.69 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.9 m -128.7 170.04 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 109' ' ' VAL . 24.6 p -143.04 173.56 11.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.502 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.2 t -136.1 131.2 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -123.32 131.57 53.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.441 ' HA ' ' CD1' ' A' ' 58' ' ' TYR . 2.2 m -73.12 111.0 7.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.06 141.15 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.426 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 97.8 p -151.06 179.3 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.54 -31.78 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.555 ' OE1' ' HB1' ' A' ' 53' ' ' ALA . 17.3 mp0 -73.93 -47.77 35.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.78 -136.59 4.08 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -122.31 170.04 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.0 t -118.31 171.59 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -52.28 163.12 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.59 122.96 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.435 ' OG ' HG21 ' A' ' 24' ' ' VAL . 21.2 p -57.43 -178.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.09 112.85 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.068 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -54.2 105.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.69 98.14 10.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.54 111.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 113' ' ' PRO . 94.1 t -65.32 138.03 96.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.607 0.718 . . . . 0.0 111.168 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.3 Cg_endo -69.74 145.12 56.31 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.363 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.434 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.4 Cg_endo -69.77 -19.04 36.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -74.15 -35.5 64.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 73.6 mt -80.57 -33.67 35.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 114' ' ' PRO . 27.3 mt -65.13 -30.77 71.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.6 p -90.49 133.9 32.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.633 0.73 . . . . 0.0 111.147 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 165.09 32.14 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.258 . . . . 0.0 112.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.22 54.26 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.337 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.661 HG23 ' HD2' ' A' ' 122' ' ' PRO . 91.1 m -142.46 139.09 17.04 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.563 0.697 . . . . 0.0 111.181 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.661 ' HD2' HG23 ' A' ' 121' ' ' THR . 54.2 Cg_endo -69.69 -47.45 0.95 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.386 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -103.9 133.6 20.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.653 0.739 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.714 2.276 . . . . 0.0 112.4 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 66.7 m -72.52 105.39 4.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 177.91 135.96 2.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.09 3.81 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.8 p 60.41 43.23 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.2 m 51.67 39.3 24.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -149.19 131.89 15.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -118.22 167.65 11.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.03 66.06 0.55 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -169.96 143.49 2.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.909 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -85.57 -46.38 10.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 103.93 -108.98 3.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.67 ' O ' HG22 ' A' ' 8' ' ' VAL . 11.6 p 34.29 38.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 111.162 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -110.1 107.87 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 52.88 42.54 32.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 m -77.17 135.89 38.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -79.78 98.99 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.24 143.84 98.48 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.594 0.711 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 140.98 44.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.5 146.11 45.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 63.22 171.42 1.67 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.82 148.56 87.11 Favored 'Cis proline' 0 C--O 1.231 0.149 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.342 0.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 140.86 43.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.05 119.77 24.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.24 66.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.367 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.84 13.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.302 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -144.28 178.14 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 62.68 25.68 15.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.607 HG21 ' OG ' ' A' ' 107' ' ' SER . 44.0 t -58.29 127.74 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.78 165.39 31.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 116' ' ' LEU . 85.4 t -121.29 113.71 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -93.07 -75.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.93 138.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.6 141.07 16.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' GLY . 65.3 t -37.89 -29.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' GLY . 1.5 p -119.91 158.19 50.67 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.564 0.697 . . . . 0.0 111.167 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -5.53 16.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.9 8.13 26.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.524 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.8 p -140.66 171.76 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.771 ' CG2' HD21 ' A' ' 82' ' ' LEU . 7.0 pt -135.58 179.3 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -128.12 100.63 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.36 99.07 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.5 m -91.87 145.38 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CE3' HG21 ' A' ' 95' ' ' VAL . 20.1 p90 -152.06 -175.12 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -120.97 104.72 41.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.8 15.13 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.706 2.27 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.1 69.27 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.1 t -57.2 136.62 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 50' ' ' SER . 81.8 mt -110.12 131.62 54.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.46 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.4 p -37.44 157.65 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.547 0.689 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 54.2 Cg_endo -69.71 14.21 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.389 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.449 ' H ' ' C ' ' A' ' 45' ' ' THR . 64.0 p -127.06 -11.39 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.746 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.49 59.27 0.79 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.746 HD23 ' O ' ' A' ' 48' ' ' GLY . 14.9 mt -156.5 135.19 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.916 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.441 ' HB2' HG21 ' A' ' 55' ' ' VAL . 10.8 t -85.46 -72.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -114.38 20.36 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.15 -11.37 11.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.97 161.58 13.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -87.56 94.68 9.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 73' ' ' PRO . 57.9 t -68.15 111.51 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 28.5 p -104.73 -5.32 21.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 161.6 -174.34 38.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.9 m-85 -117.66 174.55 6.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.931 0.396 . . . . 0.0 110.894 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -142.85 132.76 5.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.65 HG11 HG21 ' A' ' 80' ' ' VAL . 28.7 t -100.14 138.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.356 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 90.4 m-85 -137.07 154.43 50.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -121.17 -70.56 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.777 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.6 mmpt? -122.06 46.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.74 9.37 71.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -129.52 113.61 15.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 30.8 ttp180 -50.76 112.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.613 HG12 ' HB3' ' A' ' 84' ' ' ARG . 2.3 m -87.43 -26.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.578 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -158.13 176.37 12.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -169.27 131.88 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.18 123.18 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 71' ' ' ILE . 21.8 mm -79.05 45.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.801 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.5 t80 -135.43 113.49 11.17 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.579 ' HB3' HG12 ' A' ' 55' ' ' VAL . 53.6 Cg_endo -69.84 -23.95 29.88 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.704 2.27 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.538 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 17.0 p -104.81 24.11 12.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.801 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -77.5 145.72 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -120.72 -1.42 10.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.3 m -168.18 138.51 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 t -139.41 143.04 37.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.07 143.75 39.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.65 HG21 HG11 ' A' ' 60' ' ' VAL . 87.4 t -139.53 140.85 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.524 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.1 mt-10 -75.13 130.01 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.832 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.771 HD21 ' CG2' ' A' ' 35' ' ' ILE . 60.6 mt -75.98 -28.78 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.35 -37.78 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.613 ' HB3' HG12 ' A' ' 67' ' ' VAL . 40.7 mtp85 -62.3 -21.07 64.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 82' ' ' LEU . 5.2 mt -88.98 -26.05 21.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -67.1 -54.5 20.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -52.64 -36.98 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.6 mt -94.1 -14.29 25.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 85' ' ' LEU . 39.4 mt-10 62.33 37.12 14.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.777 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.16 133.45 36.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -105.57 15.02 27.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -166.69 153.65 23.54 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 15.6 m -127.59 168.55 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 109' ' ' VAL . 21.7 p -137.78 168.43 19.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.47 HG21 ' CE3' ' A' ' 39' ' ' TRP . 14.8 t -131.88 119.22 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -112.14 132.44 54.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.3 m -70.4 112.38 6.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 24.8 mt -84.15 145.66 28.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 54.1 p -157.17 168.25 27.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.91 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 17.1 mp0 -72.75 -44.35 61.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.66 -153.37 22.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -109.98 174.47 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.6 p -120.35 175.23 6.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.6 m -55.4 162.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.73 122.55 27.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.607 ' OG ' HG21 ' A' ' 24' ' ' VAL . 85.9 p -58.8 175.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.04 103.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.6 p -45.05 104.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.48 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -80.69 98.47 7.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.1 112.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.584 HG13 ' HD2' ' A' ' 113' ' ' PRO . 87.7 t -63.84 136.52 96.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.595 0.712 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.8 Cg_endo -69.76 144.81 55.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.48 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.8 Cg_endo -69.77 -15.06 36.88 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.252 . . . . 0.0 112.339 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -77.02 -35.89 56.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.456 HD12 ' CG ' ' A' ' 113' ' ' PRO . 85.8 mt -76.11 -35.38 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 114' ' ' PRO . 8.2 mt -70.56 -27.53 64.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 1.7 t -75.74 138.46 70.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 162.31 42.54 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.375 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 152.65 69.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.383 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.572 HG23 ' HD2' ' A' ' 122' ' ' PRO . 58.8 m -118.73 137.7 25.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.548 0.689 . . . . 0.0 111.155 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.572 ' HD2' HG23 ' A' ' 121' ' ' THR . 53.5 Cg_endo -69.77 146.18 59.34 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -80.57 143.52 55.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.582 0.706 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 -30.59 22.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.1 m -77.56 117.29 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.84 -89.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 0.9 4.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 70.2 m -93.89 97.62 10.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.816 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.2 t -78.06 -46.14 21.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.533 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 p -47.68 -61.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 53.71 42.22 31.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.16 94.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -109.6 87.22 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t 51.57 42.31 29.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.71 178.83 25.19 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.442 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.7 p -114.56 133.4 60.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -97.81 175.78 6.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.407 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 21.1 p90 -106.74 119.37 39.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 m -98.48 118.06 34.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 p -111.09 103.63 12.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.564 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -77.37 156.8 81.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 110.933 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 114.83 3.83 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -156.88 155.37 31.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.54 -178.57 41.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 151.29 91.36 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.318 0.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 142.11 47.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.38 118.67 32.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.595 0.712 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.444 ' HG3' ' CG2' ' A' ' 105' ' ' VAL . 54.0 Cg_endo -69.74 147.55 63.23 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -142.91 -175.07 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 54.19 34.92 21.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.667 HG21 ' OG ' ' A' ' 107' ' ' SER . 43.4 t -66.55 134.71 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -153.65 169.44 23.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.464 HG13 ' HB ' ' A' ' 35' ' ' ILE . 87.4 t -126.71 111.92 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -90.7 -75.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.84 138.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.092 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -89.47 140.17 15.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 62.1 t -35.06 -31.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 111.148 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.3 p -115.75 157.18 45.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.564 0.697 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.43 16.2 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.264 . . . . 0.0 112.31 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.97 5.72 24.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 37.2 p -135.99 171.5 14.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.623 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.7 pt -137.2 169.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -117.38 100.94 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.7 t -83.35 99.41 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -92.77 141.06 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.481 ' NE1' ' O ' ' A' ' 75' ' ' ALA . 23.4 p90 -147.92 -178.9 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -117.11 107.46 45.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.7 13.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 137.94 36.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -40.34 142.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 96.2 mt -117.21 134.93 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.484 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 25.9 p -37.91 158.02 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.578 0.704 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.78 12.13 0.36 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 45' ' ' THR . 42.5 p -126.79 -15.32 5.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.3 61.31 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.0 mt -154.34 131.7 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.577 ' HB2' HG21 ' A' ' 55' ' ' VAL . 2.6 t -103.77 98.44 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 71.52 24.99 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.608 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 97.37 -10.09 65.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -94.05 155.01 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.802 0.334 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.405 ' C ' ' HB2' ' A' ' 99' ' ' SER . 16.5 t-20 -94.18 85.95 4.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' A' ' 50' ' ' SER . 48.9 t -66.09 114.37 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.6 p -112.65 3.0 16.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 158.43 178.93 32.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' HG23 ' A' ' 97' ' ' THR . 96.6 m-85 -117.89 173.67 6.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.945 0.403 . . . . 0.0 110.958 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.87 137.2 6.79 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG11 HG21 ' A' ' 80' ' ' VAL . 17.1 t -101.2 140.16 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 111.175 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -133.79 141.83 47.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -110.65 -72.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.919 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 23.4 mmmt -119.74 46.62 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.14 16.95 70.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.407 ' NE2' HD21 ' A' ' 88' ' ' LEU . 76.3 mt-30 -134.5 112.13 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' CZ ' ' OE1' ' A' ' 69' ' ' GLU . 35.1 ttp180 -48.05 119.86 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 84' ' ' ARG . 14.1 m -101.38 -35.79 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.648 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -144.56 165.28 28.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.493 ' OE1' ' CZ ' ' A' ' 66' ' ' ARG . 6.2 pt-20 -160.78 126.04 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.8 p -111.91 121.0 63.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.082 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 71' ' ' ILE . 23.9 mm -78.3 44.61 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.872 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -133.02 115.27 14.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.87 28.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.368 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.544 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 13.2 p -104.15 23.83 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.872 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.32 135.42 36.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -119.45 10.48 11.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.0 p -172.58 130.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.836 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.9 t -137.61 156.11 48.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.92 145.88 25.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.648 HG22 ' CB ' ' A' ' 68' ' ' ALA . 91.4 t -143.13 139.39 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.8 127.94 34.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.623 HD21 ' CG2' ' A' ' 35' ' ' ILE . 47.1 mt -74.61 -31.63 62.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -55.95 -38.85 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HB3' HG12 ' A' ' 67' ' ' VAL . 52.7 mtt-85 -60.01 -29.17 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 89' ' ' GLU . 8.9 mt -79.83 -21.72 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -71.11 -55.5 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 t -51.77 -39.59 58.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD21 ' NE2' ' A' ' 65' ' ' GLN . 4.4 mt -90.87 -17.6 26.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.0 mt-10 64.68 36.1 8.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.919 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -73.99 134.02 43.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -103.91 14.97 29.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -172.32 156.11 24.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.0 m -127.82 167.28 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.948 0.404 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 109' ' ' VAL . 31.1 p -137.99 174.99 9.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.444 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.6 t -135.34 122.01 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -113.48 133.4 55.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 58' ' ' TYR . 2.4 m -73.54 110.8 8.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -84.81 144.29 28.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.405 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 95.9 p -155.81 -179.34 8.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.21 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' A' ' 15' ' ' ALA . 27.5 mp0 -72.97 -50.67 21.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.97 -144.82 8.52 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -115.35 161.42 18.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 52.6 p -111.76 171.12 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 20' ' ' PRO . 34.1 m -47.4 164.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.75 124.92 32.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.8 p -58.6 176.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.72 109.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.9 p -51.97 104.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.76 98.27 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.069 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.16 113.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.589 HG13 ' HD2' ' A' ' 113' ' ' PRO . 59.2 t -66.5 137.28 95.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.589 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.7 Cg_endo -69.72 145.95 58.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.393 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.62 ' O ' HG12 ' A' ' 118' ' ' VAL . 53.4 Cg_endo -69.82 -25.57 28.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.354 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 116' ' ' LEU . 6.7 pt-20 -66.57 -31.54 72.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 115' ' ' GLU . 66.5 mt -87.17 -32.42 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 114' ' ' PRO . 18.7 mt -67.94 -40.08 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 114' ' ' PRO . 9.1 p -78.7 137.38 58.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.573 0.701 . . . . 0.0 111.107 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.568 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.73 169.64 18.39 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 133.03 24.58 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.72 2.28 . . . . 0.0 112.293 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.531 HG23 ' HD2' ' A' ' 122' ' ' PRO . 34.2 m -110.74 137.37 20.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.531 ' HD2' HG23 ' A' ' 121' ' ' THR . 54.3 Cg_endo -69.74 152.96 69.55 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -60.43 113.22 6.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 163.88 36.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 54.0 p -149.19 143.5 25.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -45.79 171.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 143.95 52.25 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 77.0 p -91.71 42.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 84.0 p -122.07 151.62 40.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -126.79 -47.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -84.21 90.61 7.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.42 -86.83 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -113.88 -52.85 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.0 p 40.65 40.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.06 130.77 10.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -95.57 135.37 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -94.7 135.64 35.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -83.74 165.38 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' THR . 26.0 p -129.3 -38.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.839 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' SER . 73.4 p 35.99 42.54 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -86.56 143.45 36.12 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.559 0.695 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 139.05 39.25 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.629 2.219 . . . . 0.0 112.372 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.06 154.02 40.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 71.14 172.99 14.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.8 Cg_endo -69.81 154.75 93.5 Favored 'Cis proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.329 0.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 131.65 21.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.0 117.85 4.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.96 66.04 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.71 2.273 . . . . 0.0 112.316 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 171.6 14.16 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.639 2.226 . . . . 0.0 112.388 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -143.1 -178.72 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.55 35.11 25.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 110' ' ' ALA . 67.9 t -67.43 128.72 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.09 168.27 22.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 ' HB ' ' A' ' 35' ' ' ILE . 91.2 t -121.9 113.94 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -94.07 -75.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.97 136.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.07 141.12 16.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 67.9 t -36.15 -30.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 111.071 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 29' ' ' GLY . 4.5 p -117.75 156.92 49.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.597 0.713 . . . . 0.0 111.152 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -1.62 8.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.78 6.67 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 81' ' ' GLU . 57.8 p -137.16 171.17 14.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.651 HG23 HD21 ' A' ' 82' ' ' LEU . 5.1 pt -135.19 169.0 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -117.92 102.44 9.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.8 t -82.98 100.33 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 m -93.29 142.59 27.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 95' ' ' VAL . 19.2 p90 -151.49 -176.4 5.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -120.79 106.17 39.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.389 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 142.08 47.12 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.89 137.27 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 90.9 mt -112.02 131.32 55.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 32.8 p -37.35 157.99 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.9 Cg_endo -69.76 15.27 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.246 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 45' ' ' THR . 40.7 p -127.26 -16.33 4.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.547 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 107.01 56.76 0.61 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 54' ' ' ASN . 14.2 mt -154.77 134.05 12.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.46 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 12.9 t -84.1 -72.65 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.817 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 -114.86 34.56 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.65 -18.23 44.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.04 154.77 17.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 0.0 111.129 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.613 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -82.45 104.03 12.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 73' ' ' PRO . 35.4 t -75.47 113.43 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.16 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 25.3 p -108.64 6.8 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 149.39 -173.83 29.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.432 ' O ' ' CD1' ' A' ' 98' ' ' LEU . 96.2 m-85 -120.94 173.78 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.981 0.42 . . . . 0.0 110.872 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -145.08 131.32 4.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.415 HG11 HG21 ' A' ' 80' ' ' VAL . 18.0 t -98.97 141.59 16.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -137.12 148.51 46.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.42 -75.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.765 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 7.0 mmpt? -118.65 50.11 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.85 15.11 76.12 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.454 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -133.18 112.84 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.7 ttp85 -48.62 115.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.623 HG12 HH11 ' A' ' 84' ' ' ARG . 14.1 m -95.45 -37.87 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.715 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -143.63 164.82 29.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -161.37 121.98 2.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -106.47 123.3 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 71' ' ' ILE . 30.3 mm -78.45 44.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.884 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.6 t80 -134.11 114.23 12.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.738 . . . . 0.0 110.882 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HB3' HG12 ' A' ' 55' ' ' VAL . 54.0 Cg_endo -69.77 -27.9 25.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.673 2.249 . . . . 0.0 112.373 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.3 p -103.87 27.35 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.884 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -80.68 144.37 32.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -123.11 5.4 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.6 p -169.84 134.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -139.43 156.98 46.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.83 145.17 24.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.715 HG22 ' CB ' ' A' ' 68' ' ' ALA . 60.6 t -140.92 140.07 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.516 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.5 mt-10 -74.63 126.79 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 35' ' ' ILE . 30.4 mt -73.01 -31.33 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.64 -38.49 64.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.623 HH11 HG12 ' A' ' 67' ' ' VAL . 6.3 mtp-105 -62.47 -21.15 65.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 82' ' ' LEU . 10.8 mt -88.36 -27.23 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mmm-85 -66.53 -57.46 7.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 t -48.81 -38.22 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.1 mt -91.74 -15.26 28.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 85' ' ' LEU . 17.3 mm-40 61.37 38.57 16.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.765 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -79.97 131.47 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -103.38 25.36 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.9 151.54 10.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.2 m -125.23 171.06 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 111.123 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 109' ' ' VAL . 30.3 p -143.62 171.66 13.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.582 HG21 ' CE3' ' A' ' 39' ' ' TRP . 13.1 t -133.16 132.04 58.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -122.67 135.07 54.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.9 m -74.03 108.4 6.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 58' ' ' TYR . 44.8 mt -77.75 145.42 36.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.9 p -162.53 161.39 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.22 -31.48 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 101' ' ' GLN . 12.6 mp0 -75.02 -44.63 46.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 161.06 170.63 25.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -78.0 173.9 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.3 p -123.02 167.87 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.8 m -46.16 163.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.89 122.48 28.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.519 ' OG ' HG21 ' A' ' 24' ' ' VAL . 55.4 p -57.03 177.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.4 114.24 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.0 p -53.97 105.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -82.07 98.13 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.39 109.54 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.565 HG13 ' HD2' ' A' ' 113' ' ' PRO . 62.0 t -64.71 136.89 96.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.718 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.565 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.9 Cg_endo -69.75 144.6 54.6 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.618 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.79 -26.09 27.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.03 -36.62 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 59.2 mt -82.39 -25.86 33.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 114' ' ' PRO . 31.8 mt -69.87 -39.75 76.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.589 HG23 ' HD2' ' A' ' 119' ' ' PRO . 6.3 p -75.54 137.35 70.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 111.182 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.8 Cg_endo -69.68 164.84 32.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 154.56 67.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.4 t -51.14 140.54 22.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.567 0.698 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 134.04 27.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.273 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.407 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 5.6 p80 -140.21 118.51 8.44 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.871 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 125' ' ' SER . 53.6 Cg_endo -69.8 -41.04 4.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.358 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 124' ' ' PRO . 5.4 t -34.39 134.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -170.55 169.35 42.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 126.31 13.16 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 t -78.0 -46.9 19.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.5 m -83.79 128.02 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -152.77 166.64 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.835 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -164.14 173.57 12.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.49 -175.79 41.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -166.36 167.1 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -112.07 173.44 6.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.39 167.62 13.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.446 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.5 m -112.86 151.64 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -65.82 150.48 48.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -87.54 128.6 35.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -104.41 123.26 47.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.823 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.3 p -105.5 93.66 4.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.129 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.32 148.87 81.21 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.59 0.71 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 121.73 8.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.66 2.24 . . . . 0.0 112.323 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -135.97 148.68 48.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 66.73 173.8 5.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.1 Cg_endo -69.76 154.47 93.28 Favored 'Cis proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.317 0.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 135.73 31.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.318 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.38 120.04 19.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 148.93 65.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 173.09 11.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.314 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -142.1 178.63 7.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 58.07 35.34 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.673 HG21 ' OG ' ' A' ' 107' ' ' SER . 30.8 t -70.87 128.93 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.97 165.94 30.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.623 HG21 HG22 ' A' ' 112' ' ' VAL . 58.5 t -120.36 111.4 32.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.464 ' O ' HD11 ' A' ' 116' ' ' LEU . 34.7 mm-40 -89.75 -75.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.78 140.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -91.99 142.05 15.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 29' ' ' GLY . 63.0 t -34.9 -32.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 111.124 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' GLY . 3.1 p -115.82 157.13 45.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.557 0.694 . . . . 0.0 111.098 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.16 6.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.405 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.97 4.18 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.438 HG22 ' HA ' ' A' ' 81' ' ' GLU . 70.0 p -133.38 164.34 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.769 ' CG2' HD21 ' A' ' 82' ' ' LEU . 4.1 pt -129.8 166.56 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -116.42 108.69 16.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 t -89.71 98.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.9 m -92.96 137.08 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.72 ' CE3' HG21 ' A' ' 95' ' ' VAL . 17.6 p90 -147.86 -178.29 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -118.47 106.35 44.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.542 0.687 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.19 17.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.721 2.28 . . . . 0.0 112.311 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.6 63.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.363 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.0 t -48.89 144.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 50' ' ' SER . 81.7 mt -120.81 129.64 53.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 37.7 p -37.1 157.61 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.544 0.687 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.81 16.91 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.669 2.246 . . . . 0.0 112.308 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.455 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -128.46 -14.42 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 105.34 57.86 0.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 54' ' ' ASN . 10.1 mt -152.47 141.08 20.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.601 ' HA ' HD23 ' A' ' 44' ' ' LEU . 22.7 t -88.59 -74.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -114.91 32.68 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 106.25 -10.97 43.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' HB1' ' HB2' ' A' ' 101' ' ' GLN . . . -105.49 155.45 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.505 ' HA ' HD23 ' A' ' 49' ' ' LEU . 1.1 m-20 -81.01 103.73 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -84.24 118.2 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.5 p -102.7 -15.66 16.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 169.21 -165.45 38.9 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.413 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 97.9 m-85 -122.28 174.56 6.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.95 0.405 . . . . 0.0 110.955 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.09 132.14 3.87 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.441 HG12 ' CG2' ' A' ' 67' ' ' VAL . 52.1 t -96.92 139.44 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -131.35 153.25 49.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.58 ' O ' HD13 ' A' ' 88' ' ' LEU . . . -147.42 109.4 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.793 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 9.2 mmpt? 66.95 29.32 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.7 26.62 49.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -140.75 118.78 11.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -58.4 128.4 36.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.494 HG12 ' HB3' ' A' ' 84' ' ' ARG . 9.5 m -107.02 -29.9 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.525 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -154.9 177.99 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -170.43 120.11 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -105.52 122.24 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 71' ' ' ILE . 34.3 mm -78.35 45.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.879 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.9 t80 -133.78 115.71 13.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.604 0.716 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -26.28 27.79 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.667 2.245 . . . . 0.0 112.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.536 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 18.0 p -104.76 25.31 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -81.43 135.21 35.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -120.11 15.64 12.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 83.7 p -172.23 132.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 t -141.76 147.01 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -85.23 142.99 29.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.525 HG22 ' HB3' ' A' ' 68' ' ' ALA . 93.2 t -140.71 142.79 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.452 ' HB3' HG12 ' A' ' 83' ' ' VAL . 6.0 mt-10 -76.57 121.66 23.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.769 HD21 ' CG2' ' A' ' 35' ' ' ILE . 10.3 mt -67.15 -33.38 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.452 HG12 ' HB3' ' A' ' 81' ' ' GLU . 5.6 p -51.11 -39.61 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.494 ' HB3' HG12 ' A' ' 67' ' ' VAL . 51.6 mtp85 -61.32 -25.94 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.661 HD12 HD23 ' A' ' 82' ' ' LEU . 4.6 mt -82.1 -24.48 35.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.9 mmm-85 -71.12 -55.66 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -51.93 -40.55 60.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.58 HD13 ' O ' ' A' ' 62' ' ' ALA . 3.5 mt -91.27 -13.07 33.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 60.08 36.73 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.793 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -76.43 122.24 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -92.01 26.31 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 177.39 161.01 25.12 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.02 166.44 26.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 109' ' ' VAL . 21.8 p -139.88 157.82 45.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.72 HG21 ' CE3' ' A' ' 39' ' ' TRP . 21.2 t -120.61 126.61 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -115.69 130.28 56.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.5 m -71.74 107.96 4.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 24.1 mt -78.98 138.48 38.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.7 p -155.19 167.48 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.01 -36.06 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.416 ' HB2' ' HB1' ' A' ' 53' ' ' ALA . 1.6 mp0 -70.38 -47.15 62.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.56 163.01 14.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -67.45 172.04 5.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.9 t -118.88 171.28 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.7 m -53.34 163.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 119.2 22.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.673 ' OG ' HG21 ' A' ' 24' ' ' VAL . 93.8 p -56.13 177.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -51.53 102.88 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.5 p -43.9 102.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.413 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -78.24 98.39 5.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.68 112.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.65 HG13 ' HD2' ' A' ' 113' ' ' PRO . 92.3 t -68.25 138.49 91.92 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.615 0.721 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.65 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.0 Cg_endo -69.74 144.92 55.67 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.233 . . . . 0.0 112.392 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.579 ' HA ' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.74 -14.87 36.78 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.362 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -74.9 -37.47 62.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 27' ' ' GLN . 73.9 mt -82.43 -26.81 32.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 114' ' ' PRO . 35.2 mt -67.4 -37.19 82.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.611 HG23 ' HD2' ' A' ' 119' ' ' PRO . 6.3 p -77.71 137.66 62.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.602 0.715 . . . . 0.0 111.17 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.611 ' HD2' HG23 ' A' ' 118' ' ' VAL . 54.0 Cg_endo -69.78 167.14 25.32 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.344 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 162.08 43.46 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 t -62.64 133.22 94.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.595 0.712 . . . . 0.0 111.142 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 131.7 21.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -95.93 120.97 62.13 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.604 0.716 . . . . 0.0 110.825 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 164.8 33.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.256 . . . . 0.0 112.311 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.2 m -124.49 172.47 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.56 -124.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 99.91 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.27 . . . . 0.0 112.331 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.46 132.2 16.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 66.9 m -104.42 138.52 40.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -152.15 116.95 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -63.24 166.74 5.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.09 -156.5 18.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -146.11 173.7 11.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -90.55 150.87 21.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.86 -127.59 2.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -135.2 144.27 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.78 0.324 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 -127.68 155.13 44.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -103.62 172.46 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.436 ' O ' HD12 ' A' ' 13' ' ' LEU . 32.2 m -66.56 159.94 26.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -89.99 89.85 7.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.089 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.436 HD12 ' O ' ' A' ' 11' ' ' SER . 5.5 mp -88.8 149.66 44.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 121.8 8.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -156.28 149.74 24.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 59.25 172.14 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.554 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 54.0 Cg_endo -69.73 151.05 91.02 Favored 'Cis proline' 0 C--N 1.341 0.142 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.312 -0.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 140.98 44.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.31 118.91 24.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.565 0.698 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 152.15 69.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.659 2.239 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 172.02 13.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -142.22 -178.82 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 53.67 37.78 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG12 ' HB2' ' A' ' 110' ' ' ALA . 86.7 t -67.33 132.78 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -150.91 170.26 19.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' N ' ' OG1' ' A' ' 25' ' ' THR . 96.1 t -128.18 112.9 28.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -91.88 -75.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.0 140.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' THR . . . -88.99 140.15 15.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 29' ' ' GLY . 94.1 t -35.76 -30.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 29' ' ' GLY . 2.1 p -120.75 157.76 53.71 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.36 3.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.362 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -114.74 6.42 15.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.642 HG22 ' HA ' ' A' ' 81' ' ' GLU . 72.8 p -141.17 168.58 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.623 HG23 HD21 ' A' ' 82' ' ' LEU . 4.2 pt -132.93 168.45 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -116.53 96.54 5.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.9 t -81.71 100.5 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.21 160.7 16.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.442 ' CE3' HG21 ' A' ' 95' ' ' VAL . 11.6 p90 -169.0 179.01 4.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 6.0 mmm180 -114.97 106.93 50.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 127.52 14.69 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.37 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 143.29 50.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.1 m -47.33 149.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 92.0 mt -124.42 131.85 53.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.469 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 24.9 p -38.13 158.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.6 Cg_endo -69.73 13.35 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.441 ' H ' ' C ' ' A' ' 45' ' ' THR . 67.1 p -126.84 -12.02 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.732 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 101.96 61.11 0.75 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.481 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.732 HD23 ' O ' ' A' ' 48' ' ' GLY . 16.7 mt -156.78 131.54 8.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 32.5 t -83.15 -75.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -110.56 26.96 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 110.83 -13.04 29.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.47 163.47 12.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.8 OUTLIER -90.38 91.32 8.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.39 118.91 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.7 p -106.35 -10.13 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 164.03 -173.91 40.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -117.48 172.68 7.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.93 0.395 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.92 130.8 4.02 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.652 HG11 HG21 ' A' ' 80' ' ' VAL . 40.0 t -94.09 139.84 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.11 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -136.64 155.85 49.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -122.95 -69.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.9 mmpt? -122.86 46.67 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.81 12.15 72.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -130.4 112.71 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.77 0.319 . . . . 0.0 110.946 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -51.48 114.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.523 HG12 ' HB3' ' A' ' 84' ' ' ARG . 3.6 m -93.82 -25.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.837 ' CB ' HG22 ' A' ' 80' ' ' VAL . . . -154.63 164.18 39.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -160.39 125.02 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -108.63 120.93 60.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 71' ' ' ILE . 15.9 mm -77.82 45.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.814 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -135.67 115.19 11.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -26.15 27.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.54 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 37.3 p -104.71 27.08 8.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.814 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -78.52 141.59 38.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -116.51 -4.97 11.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -164.8 137.52 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.2 t -138.72 146.9 42.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -83.36 146.5 28.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.837 HG22 ' CB ' ' A' ' 68' ' ' ALA . 99.2 t -140.45 143.87 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.642 ' HA ' HG22 ' A' ' 34' ' ' THR . 4.6 mt-10 -76.45 129.54 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.623 HD21 HG23 ' A' ' 35' ' ' ILE . 33.2 mt -75.65 -32.13 60.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 84' ' ' ARG . 3.9 p -55.52 -41.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.523 ' HB3' HG12 ' A' ' 67' ' ' VAL . 33.2 mtp85 -60.68 -23.55 64.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 82' ' ' LEU . 13.2 mt -85.24 -23.04 28.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -71.57 -53.07 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -52.3 -34.33 46.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 84' ' ' ARG . 2.7 mt -96.52 -15.73 21.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 62.83 38.26 11.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -78.74 134.74 37.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -103.95 11.84 34.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -163.0 159.33 31.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.2 m -131.1 164.53 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 109' ' ' VAL . 22.4 p -138.14 170.44 16.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.442 HG21 ' CE3' ' A' ' 39' ' ' TRP . 17.6 t -131.99 130.89 61.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -121.79 132.85 54.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.3 m -75.6 109.35 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 103' ' ' GLU . 17.7 mt -82.58 150.3 26.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.436 ' HB2' ' C ' ' A' ' 54' ' ' ASN . 69.1 p -164.93 179.36 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.54 -34.95 79.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.072 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 -52.0 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.08 -175.12 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.444 ' HG2' HD22 ' A' ' 98' ' ' LEU . 17.5 mt-10 -86.17 160.36 19.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.84 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.7 p -109.26 168.62 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.6 m -49.04 164.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.63 120.61 25.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.517 ' OG ' HG21 ' A' ' 24' ' ' VAL . 58.8 p -56.25 -179.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.38 112.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 109' ' ' VAL . 7.8 p -52.79 105.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.651 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -83.05 99.14 9.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.56 111.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.561 HG13 ' HD2' ' A' ' 113' ' ' PRO . 88.6 t -65.69 136.12 95.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.561 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.83 144.19 52.87 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.4 Cg_endo -69.77 -16.77 37.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.277 . . . . 0.0 112.308 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -75.56 -32.93 60.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 113' ' ' PRO . 90.8 mt -82.54 -28.3 31.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 114' ' ' PRO . 27.6 mt -72.09 -36.47 69.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 119' ' ' PRO . 12.0 p -76.14 134.44 70.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 111.159 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 118' ' ' VAL . 53.1 Cg_endo -69.8 153.39 68.81 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 165.74 29.96 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.0 t -78.59 141.28 60.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 111.145 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 157.13 61.53 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.277 . . . . 0.0 112.382 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -96.03 151.54 38.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 174.76 9.03 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.647 2.231 . . . . 0.0 112.372 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 126' ' ' GLY . 22.0 t -118.05 -50.1 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 125' ' ' SER . . . -36.13 144.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.505 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -49.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.308 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 71.6 m -67.02 92.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.1 p -169.74 170.29 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -43.86 166.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.368 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -56.21 171.92 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.61 -148.53 8.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -142.06 170.4 15.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -97.38 161.69 13.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.08 -140.0 3.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.7 m -138.75 161.53 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.77 0.319 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -131.94 176.82 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -42.09 132.97 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.6 m -76.78 153.02 35.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.1 p -133.0 41.06 3.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.138 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 mt -40.68 144.55 0.6 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 140.39 42.51 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.61 145.08 25.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . 61.68 173.33 1.39 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 53.4 Cg_endo -69.75 147.79 85.36 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.32 0.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 133.99 26.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.698 2.266 . . . . 0.0 112.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.31 119.53 9.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.41 69.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 172.53 12.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -144.98 -177.67 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 t70 57.47 29.66 17.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG21 ' OG ' ' A' ' 107' ' ' SER . 62.1 t -62.89 128.6 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.0 OUTLIER -146.66 170.14 17.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG13 ' HB ' ' A' ' 35' ' ' ILE . 55.8 t -127.17 111.74 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -91.43 -75.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.98 143.51 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.477 ' N ' ' HA ' ' A' ' 35' ' ' ILE . . . -94.81 143.84 16.83 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.472 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 29' ' ' GLY . 61.4 t -36.58 -34.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.4 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.7 p -114.8 156.98 44.25 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.559 0.695 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 0.08 6.23 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.42 3.52 19.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.0 p -138.96 169.76 17.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.625 HG23 HD21 ' A' ' 82' ' ' LEU . 4.2 pt -134.39 174.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -119.75 107.46 13.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.4 t -89.88 99.15 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 m -94.77 142.53 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.759 ' CE3' HG21 ' A' ' 95' ' ' VAL . 18.2 p90 -149.34 -175.53 5.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.8 mmm-85 -120.12 106.91 40.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.26 17.32 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.382 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.58 40.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.719 2.279 . . . . 0.0 112.346 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -45.39 142.96 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 50' ' ' SER . 85.0 mt -117.37 130.91 56.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.928 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.478 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.9 p -37.48 157.82 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.55 0.691 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.3 Cg_endo -69.83 13.6 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.626 2.217 . . . . 0.0 112.351 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.442 ' H ' ' C ' ' A' ' 45' ' ' THR . 43.2 p -127.21 -10.39 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 100.67 59.97 0.82 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 48' ' ' GLY . 20.8 mt -156.85 125.29 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.33 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.602 ' HA ' HD23 ' A' ' 44' ' ' LEU . 3.7 t -76.21 -70.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -117.5 32.42 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.08 -12.14 40.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.97 165.07 11.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.335 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.17 111.53 23.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 97' ' ' THR . 49.0 t -87.83 118.71 34.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -101.52 -15.49 17.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.06 -168.84 41.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -121.47 174.57 6.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.945 0.402 . . . . 0.0 110.912 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.76 140.02 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' A' ' 68' ' ' ALA . 90.2 t -106.29 140.41 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 66' ' ' ARG . 4.7 m-85 -139.36 151.91 46.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -107.13 -75.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.694 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 4.4 mmpt? -114.13 37.73 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.12 8.95 43.45 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.536 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.839 ' NE2' HD11 ' A' ' 88' ' ' LEU . 4.3 pt20 -121.68 135.68 54.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 16.8 ttm180 -73.58 98.81 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 68' ' ' ALA . 30.1 m -79.67 -42.53 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . . . -129.93 170.99 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -168.81 122.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.2 p -110.77 123.23 66.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 71' ' ' ILE . 29.2 mm -78.34 44.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.898 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 3.4 t80 -133.76 114.69 13.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -24.95 29.48 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.539 ' OG1' ' CZ ' ' A' ' 72' ' ' PHE . 21.4 p -104.99 21.78 16.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.898 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -79.18 134.56 36.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -120.34 17.92 12.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.8 p -175.02 131.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.1 t -143.05 150.77 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.01 143.28 32.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.516 HG21 HG11 ' A' ' 60' ' ' VAL . 93.0 t -136.99 138.14 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -76.01 127.83 33.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.625 HD21 HG23 ' A' ' 35' ' ' ILE . 39.9 mt -74.17 -29.98 62.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.4 p -57.47 -44.46 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.494 ' N ' HG13 ' A' ' 83' ' ' VAL . 82.5 mtt-85 -54.35 -32.15 56.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -74.77 -28.95 60.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -67.6 -54.73 17.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -52.54 -39.12 61.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.839 HD11 ' NE2' ' A' ' 65' ' ' GLN . 1.3 mt -89.8 -12.47 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 60.8 36.98 19.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.694 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -86.13 142.64 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.047 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 26.4 mmtm -107.45 10.55 29.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -165.88 161.78 35.31 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.8 m -129.69 175.75 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.102 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 109' ' ' VAL . 23.4 p -144.25 163.45 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.759 HG21 ' CE3' ' A' ' 39' ' ' TRP . 18.1 t -125.33 126.09 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -117.19 136.34 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.445 HG22 HG13 ' A' ' 55' ' ' VAL . 2.9 m -74.73 110.89 9.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.8 mt -79.13 136.4 37.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.8 p -149.75 172.26 15.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.03 -33.59 76.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.36 -48.84 25.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.56 170.05 31.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -74.94 163.65 27.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.6 p -110.81 164.06 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.8 m -43.31 161.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.45 120.81 24.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.613 ' OG ' HG21 ' A' ' 24' ' ' VAL . 89.4 p -55.16 177.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -52.61 109.33 0.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.05 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 109' ' ' VAL . 6.6 p -48.97 104.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.548 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -81.09 98.66 8.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.77 112.78 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.592 HG13 ' HD2' ' A' ' 113' ' ' PRO . 86.4 t -66.8 136.68 94.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.616 0.722 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.592 ' HD2' HG13 ' A' ' 112' ' ' VAL . 54.1 Cg_endo -69.75 144.92 55.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -15.28 37.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -74.33 -38.92 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 113' ' ' PRO . 65.9 mt -77.95 -35.15 50.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.25 -35.22 78.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.5 p -88.54 132.25 39.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 111.166 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 164.75 33.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.398 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 143.0 49.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 14.4 t -148.92 140.82 14.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.702 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.94 17.75 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.649 2.233 . . . . 0.0 112.352 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -107.76 114.09 60.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.608 0.718 . . . . 0.0 110.828 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.32 12.79 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.29 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.3 m -56.3 134.52 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -113.35 154.27 17.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 176.25 7.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.667 2.244 . . . . 0.0 112.304 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 94.2 p -112.63 132.46 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.8 m -104.35 -46.34 4.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -166.52 140.82 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.841 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -142.18 135.46 28.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.83 162.98 29.29 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -132.88 95.48 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -66.42 -43.76 84.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.65 -138.05 7.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 8' ' ' VAL . 1.3 p -73.79 123.72 29.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -117.13 155.8 28.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 11' ' ' SER . 74.8 t80 -158.32 167.7 29.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.426 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 7.4 m -147.88 122.22 9.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 12' ' ' THR . 9.7 t -72.91 104.54 4.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.178 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.5 mt -88.37 156.65 50.98 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.72 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.86 43.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.315 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.698 ' HB1' ' O ' ' A' ' 52' ' ' GLY . . . -105.5 147.48 28.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.09 175.95 40.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.92 92.85 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 -1.779 . . . . 0.0 112.346 0.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 136.64 33.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.18 120.78 18.02 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 151.69 69.19 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.685 2.256 . . . . 0.0 112.366 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 170.59 16.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.636 2.224 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -140.01 -177.41 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t70 55.37 37.09 28.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.653 HG21 ' OG ' ' A' ' 107' ' ' SER . 75.4 t -69.06 132.21 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -153.73 170.33 21.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG21 HG22 ' A' ' 112' ' ' VAL . 77.0 t -124.56 110.31 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -89.51 -75.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' VAL . . . -86.4 143.3 19.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' GLY . 85.2 t -35.64 -37.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 p -116.46 157.35 45.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.197 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' HB2' ' CD ' ' A' ' 120' ' ' PRO . 54.1 Cg_endo -69.73 3.1 2.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.242 . . . . 0.0 112.376 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.7 2.96 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.04 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 81' ' ' GLU . 64.5 p -139.58 172.91 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.778 HG23 HD21 ' A' ' 82' ' ' LEU . 3.4 pt -134.61 168.63 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -116.36 95.36 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 t -78.07 101.32 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 m -94.9 144.05 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.638 ' CE3' HG21 ' A' ' 95' ' ' VAL . 16.5 p90 -151.56 -175.24 5.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -118.48 106.38 44.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.636 0.731 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 125.98 12.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.371 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 153.19 69.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.0 m -56.14 146.63 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 50' ' ' SER . 91.8 mt -120.01 130.95 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.49 ' HB ' ' HD2' ' A' ' 46' ' ' PRO . 35.8 p -37.59 158.19 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.512 0.672 . . . . 0.0 111.193 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HD2' ' HB ' ' A' ' 45' ' ' THR . 53.0 Cg_endo -69.79 15.89 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.681 2.254 . . . . 0.0 112.299 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 45' ' ' THR . 82.2 p -127.4 -18.79 4.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.082 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' O ' HD23 ' A' ' 49' ' ' LEU . . . 110.07 52.58 0.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 54' ' ' ASN . 13.6 mt -152.69 133.03 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.458 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . 21.7 t -81.39 -73.81 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -115.23 30.87 7.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.698 ' O ' ' HB1' ' A' ' 15' ' ' ALA . . . 109.56 -17.9 30.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -97.07 154.68 17.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.546 ' HA ' HD23 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -84.95 85.69 7.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.3 t -61.12 111.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 51.4 p -104.26 -6.27 21.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 162.5 -175.26 38.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.425 ' C ' ' HG ' ' A' ' 98' ' ' LEU . 98.0 m-85 -118.08 173.71 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.31 132.74 4.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.882 HG11 HG21 ' A' ' 80' ' ' VAL . 53.4 t -96.81 137.85 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 111.109 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 47.9 m-85 -136.44 156.62 48.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.462 ' HB1' ' CB ' ' A' ' 90' ' ' ALA . . . -122.01 -69.0 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.778 ' HG2' ' HB2' ' A' ' 90' ' ' ALA . 8.3 mmpt? -121.86 46.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.46 16.27 69.19 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' NE2' HD21 ' A' ' 88' ' ' LEU . 31.0 mt-30 -130.37 113.43 14.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.967 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' A' ' 61' ' ' TYR . 11.4 ttm180 -50.45 108.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 60' ' ' VAL . 16.3 m -87.09 -41.6 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HB3' HG22 ' A' ' 80' ' ' VAL . . . -140.48 173.97 10.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.39 126.7 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 p -111.33 121.77 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 71' ' ' ILE . 23.3 mm -78.21 45.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.803 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . 2.6 t80 -135.8 115.09 11.22 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.617 0.722 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -30.18 22.51 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.695 2.263 . . . . 0.0 112.286 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.9 p -100.91 27.28 6.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 72' ' ' PHE . . . -75.72 148.79 38.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -123.9 -6.16 7.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.9 m -164.28 142.5 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -142.66 162.17 36.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.95 144.44 26.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.882 HG21 HG11 ' A' ' 60' ' ' VAL . 90.0 t -140.02 139.92 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.521 ' HA ' HG22 ' A' ' 34' ' ' THR . 5.3 mt-10 -74.37 126.05 29.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.778 HD21 HG23 ' A' ' 35' ' ' ILE . 40.7 mt -72.81 -31.24 64.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 84' ' ' ARG . 5.5 p -56.67 -42.51 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.615 ' O ' HD12 ' A' ' 88' ' ' LEU . 25.3 mtp180 -57.93 -24.19 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 82' ' ' LEU . 10.8 mt -84.57 -24.37 29.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 86' ' ' ARG . 4.0 mmm180 -70.63 -57.69 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 m -49.91 -37.4 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 84' ' ' ARG . 3.6 mt -92.64 -15.88 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 63.51 37.34 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.778 ' HB2' ' HG2' ' A' ' 63' ' ' LYS . . . -80.82 125.59 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -97.8 26.59 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -177.22 157.85 22.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.538 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 16.1 m -127.22 169.78 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.389 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 109' ' ' VAL . 26.8 p -144.55 160.28 41.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.638 HG21 ' CE3' ' A' ' 39' ' ' TRP . 33.0 t -121.19 132.69 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 61' ' ' TYR . 28.7 mtp180 -122.62 130.07 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.2 m -71.76 103.36 3.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' C ' ' A' ' 58' ' ' TYR . 20.3 mt -74.63 146.68 42.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.4 p -165.91 158.0 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.19 -34.78 58.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.25 -29.4 65.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 143.61 171.12 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.518 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -78.33 164.98 24.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 78.9 p -110.29 -178.19 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -62.59 166.88 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.67 119.22 24.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.653 ' OG ' HG21 ' A' ' 24' ' ' VAL . 95.5 p -55.0 177.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.22 107.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 109' ' ' VAL . 5.1 p -48.14 104.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.555 ' HB2' HG12 ' A' ' 24' ' ' VAL . . . -84.98 98.67 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.17 113.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.642 HG13 ' HD2' ' A' ' 113' ' ' PRO . 93.3 t -67.79 138.47 93.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 111.138 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.642 ' HD2' HG13 ' A' ' 112' ' ' VAL . 53.4 Cg_endo -69.79 145.43 56.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.519 ' HA ' HD12 ' A' ' 117' ' ' LEU . 53.2 Cg_endo -69.77 -23.98 30.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -65.97 -40.08 90.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.9 mt -80.44 -30.89 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 114' ' ' PRO . 38.2 mt -65.11 -39.59 93.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.3 p -78.91 129.54 73.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.668 0.747 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 138.81 38.71 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.684 2.256 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.492 ' CD ' ' HB2' ' A' ' 32' ' ' PRO . 53.9 Cg_endo -69.73 -178.43 2.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 t -136.72 141.51 35.5 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 111.182 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.29 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -40.9 130.8 1.91 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.58 0.705 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 158.73 55.98 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.8 p -169.47 163.25 10.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -132.04 172.96 20.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 121.75 8.45 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.2 t -117.82 144.07 45.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.8 t -45.62 -52.44 10.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.984 . . . . . . . . 0 0 . 1 stop_ save_